
     Program PHONON v.5.4.0 (svn rev. 12493) starts on 21Jun2016 at 12:27:46 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

           HOST :    @host@
           ARCH :    x86_64
             CC :    cc
            CPP :    cpp
            F90 :    mpif90
            F77 :    gfortran
         DFLAGS :    -D__GFORTRAN -D__STD_F95 -D__FFTW -D__MPI -D__PARA
      BLAS LIBS :    /home/sponce/program/espresso/BLAS/blas.a
    LAPACK LIBS :    /home/sponce/program/espresso/lapack-3.2/lapack.a
       FFT LIBS :    
      MASS LIBS :    

     Parallel version (MPI), running on     1 processors

     Reading data from directory:
     ./sic.save

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)
     Any further DFT definition will be discarded
     Please, verify this is what you really want

               file C.UPF: wavefunction(s)  3d renormalized

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         559     559    169                 8801     8801    1471



     Dynamical matrices for ( 3, 3, 3)  uniform grid of q-points
     (   4q-points):
       N         xq(1)         xq(2)         xq(3) 
       1   0.000000000   0.000000000   0.000000000
       2  -0.333333333   0.333333333  -0.333333333
       3   0.000000000   0.666666667   0.000000000
       4   0.666666667  -0.000000000   0.666666667

     Calculation of q =    0.0000000   0.0000000   0.0000000

Possibly too few bands at point    1   0.00000   0.00000   0.00000

Possibly too few bands at point    2  -0.16667   0.16667  -0.16667

Possibly too few bands at point    3  -0.33333   0.33333  -0.33333

Possibly too few bands at point    4   0.50000  -0.50000   0.50000

Possibly too few bands at point    5   0.00000   0.33333   0.00000

Possibly too few bands at point    6  -0.16667   0.50000  -0.16667

Possibly too few bands at point    7   0.66667  -0.33333   0.66667

Possibly too few bands at point    8   0.50000  -0.16667   0.50000

Possibly too few bands at point    9   0.33333   0.00000   0.33333

Possibly too few bands at point   10   0.00000   0.66667   0.00000

Possibly too few bands at point   11   0.83333  -0.16667   0.83333

Possibly too few bands at point   12   0.66667  -0.00000   0.66667

Possibly too few bands at point   13   0.00000  -1.00000   0.00000

Possibly too few bands at point   14   0.66667  -0.33333   1.00000

Possibly too few bands at point   15   0.50000  -0.16667   0.83333

Possibly too few bands at point   16  -0.33333  -1.00000   0.00000

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       8.2370  a.u.
     unit-cell volume          =     139.7163 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            2
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    8.23700  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Si  28.0855   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000   0.0000000 )

     25 Sym.Ops. (with q -> -q+G )


     G cutoff =  412.4674  (   8801 G-vectors)     FFT grid: ( 30, 30, 30)

     number of k points=    16  Methfessel-Paxton smearing, width (Ry)=  0.0200

     PseudoPot. # 1 for Si read from file:
     ./Si.pz-vbc.UPF
     MD5 check sum: 6dfa03ddd5817404712e03e4d12deb78
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  431 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     PseudoPot. # 2 for C  read from file:
     ./C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, T_d (-43m)  point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      3 modes -T_2  G_15 P_4  To be done

     Representation     2      3 modes -T_2  G_15 P_4  To be done



     Alpha used in Ewald sum =   2.5000
     PHONON       :     0.79s CPU         0.40s WALL



     Representation #  1 modes #   1  2  3

     Self-consistent Calculation

     Pert. #  1: Fermi energy shift (Ry) =    -4.7615E-18    -9.6296E-35
     Pert. #  2: Fermi energy shift (Ry) =     1.3155E-17     6.4198E-35
     Pert. #  3: Fermi energy shift (Ry) =     5.4210E-18    -1.6049E-35

      iter #   1 total cpu time :     3.8 secs   av.it.:   5.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.177E-07

     Pert. #  1: Fermi energy shift (Ry) =    -3.3113E-18    -9.4040E-38
     Pert. #  2: Fermi energy shift (Ry) =     4.3368E-19     5.0938E-38
     Pert. #  3: Fermi energy shift (Ry) =    -3.2526E-18    -4.7020E-38

      iter #   2 total cpu time :     8.8 secs   av.it.:  10.6
      thresh= 6.463E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.085E-09

     Pert. #  1: Fermi energy shift (Ry) =    -2.9590E-18    -7.3468E-40
     Pert. #  2: Fermi energy shift (Ry) =     1.3733E-18     1.1755E-38
     Pert. #  3: Fermi energy shift (Ry) =     4.0115E-18    -1.9592E-39

      iter #   3 total cpu time :    16.6 secs   av.it.:  10.3
      thresh= 7.131E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.401E-11

     Pert. #  1: Fermi energy shift (Ry) =    -1.0259E-17     9.7958E-40
     Pert. #  2: Fermi energy shift (Ry) =     5.7824E-19     3.9183E-39
     Pert. #  3: Fermi energy shift (Ry) =    -5.2042E-18     9.7958E-40

      iter #   4 total cpu time :    24.4 secs   av.it.:  10.1
      thresh= 3.743E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.603E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   4  5  6

     Self-consistent Calculation

     Pert. #  1: Fermi energy shift (Ry) =    -2.8912E-18     3.2099E-35
     Pert. #  2: Fermi energy shift (Ry) =    -1.2143E-17     5.6173E-35
     Pert. #  3: Fermi energy shift (Ry) =     9.9747E-18     8.4259E-35

      iter #   1 total cpu time :    29.4 secs   av.it.:   4.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.904E-08

     Pert. #  1: Fermi energy shift (Ry) =     7.5171E-18    -1.9592E-38
     Pert. #  2: Fermi energy shift (Ry) =    -3.4694E-18    -2.7428E-38
     Pert. #  3: Fermi energy shift (Ry) =    -4.8428E-18     3.9183E-39

      iter #   2 total cpu time :    37.3 secs   av.it.:  10.3
      thresh= 1.380E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.003E-10

     Pert. #  1: Fermi energy shift (Ry) =    -2.3130E-18    -3.9183E-39
     Pert. #  2: Fermi energy shift (Ry) =    -5.7824E-19     3.9183E-39
     Pert. #  3: Fermi energy shift (Ry) =    -6.5052E-19    -3.9183E-38

      iter #   3 total cpu time :    45.2 secs   av.it.:  10.1
      thresh= 1.415E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.555E-11

     Pert. #  1: Fermi energy shift (Ry) =     2.3130E-18     1.7143E-39
     Pert. #  2: Fermi energy shift (Ry) =    -1.7347E-18     2.9387E-39
     Pert. #  3: Fermi energy shift (Ry) =    -1.1565E-18    -7.9591E-40

      iter #   4 total cpu time :    52.9 secs   av.it.:   9.9
      thresh= 3.943E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.176E-13

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    1
     List of q in the star:
          1   0.000000000   0.000000000   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       0.311815 [THz] =      10.401028 [cm-1]
     freq (    2) =       0.311815 [THz] =      10.401028 [cm-1]
     freq (    3) =       0.311815 [THz] =      10.401028 [cm-1]
     freq (    4) =      22.805697 [THz] =     760.716170 [cm-1]
     freq (    5) =      22.805697 [THz] =     760.716170 [cm-1]
     freq (    6) =      22.805697 [THz] =     760.716170 [cm-1]
 **************************************************************************

     Mode symmetry, T_d (-43m)  point group:

     freq (  1 -  3) =         10.4  [cm-1]   --> T_2  G_15 P_4   I+R
     freq (  4 -  6) =        760.7  [cm-1]   --> T_2  G_15 P_4   I+R

     Calculation of q =   -0.3333333   0.3333333  -0.3333333

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         559     559    199                 8801     8801    1807



     bravais-lattice index     =            2
     lattice parameter (alat)  =       8.2370  a.u.
     unit-cell volume          =     139.7163 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            2
     number of electrons       =         8.00
     number of Kohn-Sham states=            4
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   8.237000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Si read from file:
     ./Si.pz-vbc.UPF
     MD5 check sum: 6dfa03ddd5817404712e03e4d12deb78
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  431 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     PseudoPot. # 2 for C  read from file:
     ./C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Si             4.00    28.08550     Si( 1.00)
        C              4.00    12.01078     C ( 1.00)

     24 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Si  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=   112  Methfessel-Paxton smearing, width (Ry)=  0.0200

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     8801 G-vectors     FFT dimensions: (  30,  30,  30)

     Largest allocated arrays     est. size (Mb)     dimensions
        Kohn-Sham Wavefunctions         0.07 Mb     (    1113,    4)
        NL pseudopotentials             0.14 Mb     (    1113,    8)
        Each V/rho on FFT grid          0.41 Mb     (   27000)
        Each G-vector array             0.07 Mb     (    8801)
        G-vector shells                 0.00 Mb     (     140)
     Largest temporary arrays     est. size (Mb)     dimensions
        Auxiliary wavefunctions         0.27 Mb     (    1113,   16)
        Each subspace H/S matrix        0.00 Mb     (      16,   16)
        Each <psi_i|beta_j> matrix      0.00 Mb     (       8,    4)

     The potential is recalculated from file :
     ./_ph0/sic.q_2/sic.save/charge-density.dat

     Starting wfc are   13 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.4

     total cpu time spent up to now is       21.0 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     9.3777 ev

     Writing output data file sic.save

Possibly too few bands at point    1   0.00000   0.00000   0.00000

Possibly too few bands at point    2  -0.33333   0.33333  -0.33333

Possibly too few bands at point    3  -0.16667   0.16667  -0.16667

Possibly too few bands at point    4  -0.50000   0.50000  -0.50000

Possibly too few bands at point    5  -0.33333   0.33333  -0.33333

Possibly too few bands at point    6  -0.66667   0.66667  -0.66667

Possibly too few bands at point    7   0.50000  -0.50000   0.50000

Possibly too few bands at point    8   0.16667  -0.16667   0.16667

Possibly too few bands at point    9   0.00000   0.33333   0.00000

Possibly too few bands at point   10  -0.33333   0.66667  -0.33333

Possibly too few bands at point   11  -0.16667   0.50000  -0.16667

Possibly too few bands at point   12  -0.50000   0.83333  -0.50000

Possibly too few bands at point   13   0.66667  -0.33333   0.66667

Possibly too few bands at point   14   0.33333  -0.00000   0.33333

Possibly too few bands at point   15   0.50000  -0.16667   0.50000

Possibly too few bands at point   16   0.16667   0.16667   0.16667

Possibly too few bands at point   17   0.33333   0.00000   0.33333

Possibly too few bands at point   18  -0.00000   0.33333  -0.00000

Possibly too few bands at point   19   0.00000   0.66667   0.00000

Possibly too few bands at point   20  -0.33333   1.00000  -0.33333

Possibly too few bands at point   21   0.83333  -0.16667   0.83333

Possibly too few bands at point   22   0.50000   0.16667   0.50000

Possibly too few bands at point   23   0.66667  -0.00000   0.66667

Possibly too few bands at point   24   0.33333   0.33333   0.33333

Possibly too few bands at point   25   0.00000  -1.00000   0.00000

Possibly too few bands at point   26  -0.33333  -0.66667  -0.33333

Possibly too few bands at point   27   0.66667  -0.33333   1.00000

Possibly too few bands at point   28   0.33333  -0.00000   0.66667

Possibly too few bands at point   29   0.50000  -0.16667   0.83333

Possibly too few bands at point   30   0.16667   0.16667   0.50000

Possibly too few bands at point   31  -0.33333  -1.00000   0.00000

Possibly too few bands at point   32  -0.66667  -0.66667  -0.33333

Possibly too few bands at point   33   0.16667   0.16667   0.16667

Possibly too few bands at point   34  -0.16667   0.50000  -0.16667

Possibly too few bands at point   35   0.16667  -0.16667   0.16667

Possibly too few bands at point   36  -0.16667   0.16667  -0.16667

Possibly too few bands at point   37  -0.16667   0.16667   0.16667

Possibly too few bands at point   38  -0.50000   0.50000  -0.16667

Possibly too few bands at point   39   0.33333   0.33333   0.33333

Possibly too few bands at point   40   0.00000   0.66667   0.00000

Possibly too few bands at point   41   0.33333  -0.33333   0.33333

Possibly too few bands at point   42   0.00000   0.00000   0.00000

Possibly too few bands at point   43  -0.33333   0.33333   0.33333

Possibly too few bands at point   44  -0.66667   0.66667   0.00000

Possibly too few bands at point   45  -0.50000  -0.50000  -0.50000

Possibly too few bands at point   46  -0.83333  -0.16667  -0.83333

Possibly too few bands at point   47   0.33333   0.00000   0.00000

Possibly too few bands at point   48   0.00000   0.33333  -0.33333

Possibly too few bands at point   49   0.50000   0.16667   0.16667

Possibly too few bands at point   50   0.16667   0.50000  -0.16667

Possibly too few bands at point   51   0.16667   0.50000   0.16667

Possibly too few bands at point   52  -0.16667   0.83333  -0.16667

Possibly too few bands at point   53   0.16667  -0.50000   0.16667

Possibly too few bands at point   54  -0.16667  -0.16667  -0.16667

Possibly too few bands at point   55  -0.16667   0.50000   0.16667

Possibly too few bands at point   56  -0.50000   0.83333  -0.16667

Possibly too few bands at point   57  -0.16667  -0.50000  -0.16667

Possibly too few bands at point   58  -0.50000  -0.16667  -0.50000

Possibly too few bands at point   59  -0.33333  -0.66667  -0.66667

Possibly too few bands at point   60  -0.66667  -0.33333  -1.00000

Possibly too few bands at point   61  -0.66667  -0.33333  -0.66667

Possibly too few bands at point   62  -1.00000  -0.00000  -1.00000

Possibly too few bands at point   63  -0.66667   0.33333  -0.66667

Possibly too few bands at point   64  -1.00000   0.66667  -1.00000

Possibly too few bands at point   65   0.66667  -0.33333  -0.66667

Possibly too few bands at point   66   0.33333  -0.00000  -1.00000

Possibly too few bands at point   67   0.66667   0.33333   0.66667

Possibly too few bands at point   68   0.33333   0.66667   0.33333

Possibly too few bands at point   69  -0.16667  -0.50000  -0.50000

Possibly too few bands at point   70  -0.50000  -0.16667  -0.83333

Possibly too few bands at point   71  -0.50000  -0.16667  -0.50000

Possibly too few bands at point   72  -0.83333   0.16667  -0.83333

Possibly too few bands at point   73  -0.50000   0.16667  -0.50000

Possibly too few bands at point   74  -0.83333   0.50000  -0.83333

Possibly too few bands at point   75   0.50000  -0.16667  -0.50000

Possibly too few bands at point   76   0.16667   0.16667  -0.83333

Possibly too few bands at point   77   0.50000   0.16667   0.50000

Possibly too few bands at point   78   0.16667   0.50000   0.16667

Possibly too few bands at point   79   0.00000  -0.33333  -0.33333

Possibly too few bands at point   80  -0.33333   0.00000  -0.66667

Possibly too few bands at point   81  -0.33333   0.00000  -0.33333

Possibly too few bands at point   82  -0.66667   0.33333  -0.66667

Possibly too few bands at point   83   0.66667   0.00000   0.00000

Possibly too few bands at point   84   0.33333   0.33333  -0.33333

Possibly too few bands at point   85  -0.16667  -0.83333  -0.83333

Possibly too few bands at point   86  -0.50000  -0.50000  -1.16667

Possibly too few bands at point   87  -0.83333  -0.16667  -0.83333

Possibly too few bands at point   88  -1.16667   0.16667  -1.16667

Possibly too few bands at point   89  -0.83333   0.16667  -0.83333

Possibly too few bands at point   90  -1.16667   0.50000  -1.16667

Possibly too few bands at point   91   0.83333  -0.16667  -0.83333

Possibly too few bands at point   92   0.50000   0.16667  -1.16667

Possibly too few bands at point   93   0.83333   0.16667   0.83333

Possibly too few bands at point   94   0.50000   0.50000   0.50000

Possibly too few bands at point   95   0.00000  -0.66667  -0.66667

Possibly too few bands at point   96  -0.33333  -0.33333  -1.00000

Possibly too few bands at point   97  -0.66667   0.00000  -0.66667

Possibly too few bands at point   98  -1.00000   0.33333  -1.00000

Possibly too few bands at point   99  -0.33333  -1.00000  -0.66667

Possibly too few bands at point  100  -0.66667  -0.66667  -1.00000

Possibly too few bands at point  101  -0.66667  -0.33333  -1.00000

Possibly too few bands at point  102  -1.00000  -0.00000  -1.33333

Possibly too few bands at point  103  -1.00000  -0.66667  -0.33333

Possibly too few bands at point  104  -1.33333  -0.33333  -0.66667

Possibly too few bands at point  105  -0.16667  -0.83333  -0.50000

Possibly too few bands at point  106  -0.50000  -0.50000  -0.83333

Possibly too few bands at point  107  -0.50000  -0.16667  -0.83333

Possibly too few bands at point  108  -0.83333   0.16667  -1.16667

Possibly too few bands at point  109  -0.83333  -0.50000  -0.16667

Possibly too few bands at point  110  -1.16667  -0.16667  -0.50000

Possibly too few bands at point  111  -1.00000   0.00000   0.33333

Possibly too few bands at point  112  -1.33333   0.33333  -0.00000

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       8.2370  a.u.
     unit-cell volume          =     139.7163 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            2
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    8.23700  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Si  28.0855   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.3333333   0.3333333  -0.3333333 )

      6 Sym.Ops. (no q -> -q+G )


     G cutoff =  412.4674  (   8801 G-vectors)     FFT grid: ( 30, 30, 30)

     number of k points=   112  Methfessel-Paxton smearing, width (Ry)=  0.0200

     PseudoPot. # 1 for Si read from file:
     ./Si.pz-vbc.UPF
     MD5 check sum: 6dfa03ddd5817404712e03e4d12deb78
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  431 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     PseudoPot. # 2 for C  read from file:
     ./C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_3v (3m)   point group:


     Atomic displacements:
     There are   4 irreducible representations

     Representation     1      1 modes -A_1  L_1  To be done

     Representation     2      1 modes -A_1  L_1  To be done

     Representation     3      2 modes -E    L_3  To be done

     Representation     4      2 modes -E    L_3  To be done



     Alpha used in Ewald sum =   2.5000
     PHONON       :  2m28.93s CPU     1m14.55s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    81.2 secs   av.it.:   6.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.390E-04

      iter #   2 total cpu time :    89.0 secs   av.it.:   8.2
      thresh= 2.095E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.543E-03

      iter #   3 total cpu time :    96.0 secs   av.it.:   7.1
      thresh= 3.928E-03 alpha_mix =  0.700 |ddv_scf|^2 =  9.695E-07

      iter #   4 total cpu time :   104.2 secs   av.it.:   8.5
      thresh= 9.846E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.808E-08

      iter #   5 total cpu time :   111.8 secs   av.it.:   8.0
      thresh= 2.968E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.804E-10

      iter #   6 total cpu time :   119.5 secs   av.it.:   8.0
      thresh= 2.192E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.958E-11

      iter #   7 total cpu time :   127.2 secs   av.it.:   7.8
      thresh= 5.438E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.015E-11

      iter #   8 total cpu time :   134.6 secs   av.it.:   7.4
      thresh= 3.185E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.463E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :   141.0 secs   av.it.:   5.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.004E-04

      iter #   2 total cpu time :   149.0 secs   av.it.:   8.2
      thresh= 1.416E-03 alpha_mix =  0.700 |ddv_scf|^2 =  6.964E-04

      iter #   3 total cpu time :   156.1 secs   av.it.:   7.2
      thresh= 2.639E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.626E-07

      iter #   4 total cpu time :   164.3 secs   av.it.:   8.6
      thresh= 4.033E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.575E-08

      iter #   5 total cpu time :   172.4 secs   av.it.:   8.3
      thresh= 1.255E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.949E-11

      iter #   6 total cpu time :   180.5 secs   av.it.:   8.4
      thresh= 7.713E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.911E-12

      iter #   7 total cpu time :   188.8 secs   av.it.:   8.6
      thresh= 2.629E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.808E-11

      iter #   8 total cpu time :   196.0 secs   av.it.:   7.2
      thresh= 4.252E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.607E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 modes #   3  4

     Self-consistent Calculation

      iter #   1 total cpu time :   207.0 secs   av.it.:   5.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.157E-06

      iter #   2 total cpu time :   218.3 secs   av.it.:  10.0
      thresh= 1.076E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.519E-08

      iter #   3 total cpu time :   229.1 secs   av.it.:   9.7
      thresh= 1.587E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.582E-11

      iter #   4 total cpu time :   239.7 secs   av.it.:   9.4
      thresh= 5.985E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.451E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 modes #   5  6

     Self-consistent Calculation

      iter #   1 total cpu time :   246.6 secs   av.it.:   5.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.942E-08

      iter #   2 total cpu time :   257.2 secs   av.it.:   9.8
      thresh= 2.818E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.387E-09

      iter #   3 total cpu time :   268.0 secs   av.it.:   9.8
      thresh= 3.724E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.586E-11

      iter #   4 total cpu time :   278.4 secs   av.it.:   9.3
      thresh= 7.474E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.890E-12

      iter #   5 total cpu time :   288.6 secs   av.it.:   9.1
      thresh= 1.375E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.411E-15

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    4
     List of q in the star:
          1  -0.333333333   0.333333333  -0.333333333
          2   0.333333333   0.333333333   0.333333333
          3   0.333333333  -0.333333333  -0.333333333
          4  -0.333333333  -0.333333333   0.333333333
     In addition there is the -q list: 
          1   0.333333333  -0.333333333   0.333333333
          2  -0.333333333  -0.333333333  -0.333333333
          3  -0.333333333   0.333333333   0.333333333
          4   0.333333333   0.333333333  -0.333333333

     Diagonalizing the dynamical matrix

     q = (   -0.333333333   0.333333333  -0.333333333 ) 

 **************************************************************************
     freq (    1) =       6.988321 [THz] =     233.105301 [cm-1]
     freq (    2) =       6.988321 [THz] =     233.105301 [cm-1]
     freq (    3) =      14.966066 [THz] =     499.214226 [cm-1]
     freq (    4) =      22.462434 [THz] =     749.266154 [cm-1]
     freq (    5) =      22.462434 [THz] =     749.266154 [cm-1]
     freq (    6) =      26.041260 [THz] =     868.642926 [cm-1]
 **************************************************************************

     Mode symmetry, C_3v (3m)   point group:

     freq (  1 -  2) =        233.1  [cm-1]   --> E    L_3           
     freq (  3 -  3) =        499.2  [cm-1]   --> A_1  L_1           
     freq (  4 -  5) =        749.3  [cm-1]   --> E    L_3           
     freq (  6 -  6) =        868.6  [cm-1]   --> A_1  L_1           

     Calculation of q =    0.0000000   0.6666667   0.0000000

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         559     559    199                 8801     8801    1807



     bravais-lattice index     =            2
     lattice parameter (alat)  =       8.2370  a.u.
     unit-cell volume          =     139.7163 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            2
     number of electrons       =         8.00
     number of Kohn-Sham states=            4
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   8.237000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Si read from file:
     ./Si.pz-vbc.UPF
     MD5 check sum: 6dfa03ddd5817404712e03e4d12deb78
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  431 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     PseudoPot. # 2 for C  read from file:
     ./C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Si             4.00    28.08550     Si( 1.00)
        C              4.00    12.01078     C ( 1.00)

     24 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Si  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=   150  Methfessel-Paxton smearing, width (Ry)=  0.0200

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     8801 G-vectors     FFT dimensions: (  30,  30,  30)

     Largest allocated arrays     est. size (Mb)     dimensions
        Kohn-Sham Wavefunctions         0.07 Mb     (    1113,    4)
        NL pseudopotentials             0.14 Mb     (    1113,    8)
        Each V/rho on FFT grid          0.41 Mb     (   27000)
        Each G-vector array             0.07 Mb     (    8801)
        G-vector shells                 0.00 Mb     (     140)
     Largest temporary arrays     est. size (Mb)     dimensions
        Auxiliary wavefunctions         0.27 Mb     (    1113,   16)
        Each subspace H/S matrix        0.00 Mb     (      16,   16)
        Each <psi_i|beta_j> matrix      0.00 Mb     (       8,    4)

     The potential is recalculated from file :
     ./_ph0/sic.q_3/sic.save/charge-density.dat

     Starting wfc are   13 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.4

     total cpu time spent up to now is       38.5 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     9.3777 ev

     Writing output data file sic.save

Possibly too few bands at point    1   0.00000   0.00000   0.00000

Possibly too few bands at point    2   0.00000   0.66667   0.00000

Possibly too few bands at point    3  -0.16667   0.16667  -0.16667

Possibly too few bands at point    4  -0.16667   0.83333  -0.16667

Possibly too few bands at point    5  -0.33333   0.33333  -0.33333

Possibly too few bands at point    6  -0.33333   1.00000  -0.33333

Possibly too few bands at point    7   0.50000  -0.50000   0.50000

Possibly too few bands at point    8   0.50000   0.16667   0.50000

Possibly too few bands at point    9   0.00000   0.33333   0.00000

Possibly too few bands at point   10   0.00000   1.00000   0.00000

Possibly too few bands at point   11  -0.16667   0.50000  -0.16667

Possibly too few bands at point   12  -0.16667   1.16667  -0.16667

Possibly too few bands at point   13   0.66667  -0.33333   0.66667

Possibly too few bands at point   14   0.66667   0.33333   0.66667

Possibly too few bands at point   15   0.50000  -0.16667   0.50000

Possibly too few bands at point   16   0.50000   0.50000   0.50000

Possibly too few bands at point   17   0.33333   0.00000   0.33333

Possibly too few bands at point   18   0.33333   0.66667   0.33333

Possibly too few bands at point   19   0.00000   0.66667   0.00000

Possibly too few bands at point   20   0.00000   1.33333   0.00000

Possibly too few bands at point   21   0.83333  -0.16667   0.83333

Possibly too few bands at point   22   0.83333   0.50000   0.83333

Possibly too few bands at point   23   0.66667  -0.00000   0.66667

Possibly too few bands at point   24   0.66667   0.66667   0.66667

Possibly too few bands at point   25   0.00000  -1.00000   0.00000

Possibly too few bands at point   26   0.00000  -0.33333   0.00000

Possibly too few bands at point   27   0.66667  -0.33333   1.00000

Possibly too few bands at point   28   0.66667   0.33333   1.00000

Possibly too few bands at point   29   0.50000  -0.16667   0.83333

Possibly too few bands at point   30   0.50000   0.50000   0.83333

Possibly too few bands at point   31  -0.33333  -1.00000   0.00000

Possibly too few bands at point   32  -0.33333  -0.33333   0.00000

Possibly too few bands at point   33   0.16667  -0.16667  -0.16667

Possibly too few bands at point   34   0.16667   0.50000  -0.16667

Possibly too few bands at point   35   0.16667  -0.16667   0.16667

Possibly too few bands at point   36   0.16667   0.50000   0.16667

Possibly too few bands at point   37  -0.16667   0.16667   0.16667

Possibly too few bands at point   38  -0.16667   0.83333   0.16667

Possibly too few bands at point   39   0.33333  -0.33333  -0.33333

Possibly too few bands at point   40   0.33333   0.33333  -0.33333

Possibly too few bands at point   41   0.33333  -0.33333   0.33333

Possibly too few bands at point   42   0.33333   0.33333   0.33333

Possibly too few bands at point   43  -0.33333   0.33333   0.33333

Possibly too few bands at point   44  -0.33333   1.00000   0.33333

Possibly too few bands at point   45  -0.50000   0.50000   0.50000

Possibly too few bands at point   46  -0.50000   1.16667   0.50000

Possibly too few bands at point   47   0.00000   0.00000  -0.33333

Possibly too few bands at point   48   0.00000   0.66667  -0.33333

Possibly too few bands at point   49   0.00000  -0.33333   0.00000

Possibly too few bands at point   50   0.00000   0.33333   0.00000

Possibly too few bands at point   51  -0.16667   0.16667  -0.50000

Possibly too few bands at point   52  -0.16667   0.83333  -0.50000

Possibly too few bands at point   53   0.16667  -0.50000  -0.16667

Possibly too few bands at point   54   0.16667   0.16667  -0.16667

Possibly too few bands at point   55  -0.16667  -0.16667   0.50000

Possibly too few bands at point   56  -0.16667   0.50000   0.50000

Possibly too few bands at point   57   0.16667  -0.50000   0.16667

Possibly too few bands at point   58   0.16667   0.16667   0.16667

Possibly too few bands at point   59  -0.16667   0.50000   0.16667

Possibly too few bands at point   60  -0.16667   1.16667   0.16667

Possibly too few bands at point   61   0.16667  -0.16667   0.50000

Possibly too few bands at point   62   0.16667   0.50000   0.50000

Possibly too few bands at point   63   0.16667   0.16667  -0.50000

Possibly too few bands at point   64   0.16667   0.83333  -0.50000

Possibly too few bands at point   65   0.66667  -0.66667   0.33333

Possibly too few bands at point   66   0.66667   0.00000   0.33333

Possibly too few bands at point   67  -0.66667   0.33333   0.66667

Possibly too few bands at point   68  -0.66667   1.00000   0.66667

Possibly too few bands at point   69   0.66667   0.66667  -0.33333

Possibly too few bands at point   70   0.66667   1.33333  -0.33333

Possibly too few bands at point   71  -0.66667   0.33333  -0.66667

Possibly too few bands at point   72  -0.66667   1.00000  -0.66667

Possibly too few bands at point   73   0.66667  -0.33333  -0.66667

Possibly too few bands at point   74   0.66667   0.33333  -0.66667

Possibly too few bands at point   75  -0.66667   0.66667  -0.33333

Possibly too few bands at point   76  -0.66667   1.33333  -0.33333

Possibly too few bands at point   77  -0.66667  -0.66667   0.33333

Possibly too few bands at point   78  -0.66667   0.00000   0.33333

Possibly too few bands at point   79   0.50000  -0.50000   0.16667

Possibly too few bands at point   80   0.50000   0.16667   0.16667

Possibly too few bands at point   81  -0.50000   0.16667   0.50000

Possibly too few bands at point   82  -0.50000   0.83333   0.50000

Possibly too few bands at point   83   0.50000   0.50000  -0.16667

Possibly too few bands at point   84   0.50000   1.16667  -0.16667

Possibly too few bands at point   85  -0.50000   0.16667  -0.50000

Possibly too few bands at point   86  -0.50000   0.83333  -0.50000

Possibly too few bands at point   87   0.50000  -0.16667  -0.50000

Possibly too few bands at point   88   0.50000   0.50000  -0.50000

Possibly too few bands at point   89  -0.50000   0.50000  -0.16667

Possibly too few bands at point   90  -0.50000   1.16667  -0.16667

Possibly too few bands at point   91  -0.50000  -0.50000   0.16667

Possibly too few bands at point   92  -0.50000   0.16667   0.16667

Possibly too few bands at point   93   0.33333  -0.33333   0.00000

Possibly too few bands at point   94   0.33333   0.33333   0.00000

Possibly too few bands at point   95  -0.33333   0.00000   0.33333

Possibly too few bands at point   96  -0.33333   0.66667   0.33333

Possibly too few bands at point   97   0.33333   0.33333   0.00000

Possibly too few bands at point   98   0.33333   1.00000   0.00000

Possibly too few bands at point   99   0.00000   0.00000  -0.66667

Possibly too few bands at point  100   0.00000   0.66667  -0.66667

Possibly too few bands at point  101   0.00000  -0.66667   0.00000

Possibly too few bands at point  102   0.00000   0.00000   0.00000

Possibly too few bands at point  103   0.83333  -0.83333   0.16667

Possibly too few bands at point  104   0.83333  -0.16667   0.16667

Possibly too few bands at point  105  -0.83333   0.16667   0.83333

Possibly too few bands at point  106  -0.83333   0.83333   0.83333

Possibly too few bands at point  107   0.83333   0.83333  -0.16667

Possibly too few bands at point  108   0.83333   1.50000  -0.16667

Possibly too few bands at point  109  -0.83333   0.16667  -0.83333

Possibly too few bands at point  110  -0.83333   0.83333  -0.83333

Possibly too few bands at point  111   0.83333  -0.16667  -0.83333

Possibly too few bands at point  112   0.83333   0.50000  -0.83333

Possibly too few bands at point  113  -0.83333   0.83333  -0.16667

Possibly too few bands at point  114  -0.83333   1.50000  -0.16667

Possibly too few bands at point  115  -0.83333  -0.83333   0.16667

Possibly too few bands at point  116  -0.83333  -0.16667   0.16667

Possibly too few bands at point  117   0.66667  -0.66667   0.00000

Possibly too few bands at point  118   0.66667  -0.00000   0.00000

Possibly too few bands at point  119  -0.66667   0.00000   0.66667

Possibly too few bands at point  120  -0.66667   0.66667   0.66667

Possibly too few bands at point  121   0.66667   0.66667   0.00000

Possibly too few bands at point  122   0.66667   1.33333   0.00000

Possibly too few bands at point  123   0.00000   0.00000   1.00000

Possibly too few bands at point  124   0.00000   0.66667   1.00000

Possibly too few bands at point  125   1.00000  -0.66667   0.33333

Possibly too few bands at point  126   1.00000   0.00000   0.33333

Possibly too few bands at point  127  -0.33333  -1.00000  -0.66667

Possibly too few bands at point  128  -0.33333  -0.33333  -0.66667

Possibly too few bands at point  129  -0.66667   0.33333   1.00000

Possibly too few bands at point  130  -0.66667   1.00000   1.00000

Possibly too few bands at point  131   1.00000   0.66667  -0.33333

Possibly too few bands at point  132   1.00000   1.33333  -0.33333

Possibly too few bands at point  133  -0.33333   1.00000   0.66667

Possibly too few bands at point  134  -0.33333   1.66667   0.66667

Possibly too few bands at point  135   0.83333  -0.50000   0.16667

Possibly too few bands at point  136   0.83333   0.16667   0.16667

Possibly too few bands at point  137  -0.16667  -0.83333  -0.50000

Possibly too few bands at point  138  -0.16667  -0.16667  -0.50000

Possibly too few bands at point  139  -0.50000   0.16667   0.83333

Possibly too few bands at point  140  -0.50000   0.83333   0.83333

Possibly too few bands at point  141   0.83333   0.50000  -0.16667

Possibly too few bands at point  142   0.83333   1.16667  -0.16667

Possibly too few bands at point  143  -0.16667   0.83333   0.50000

Possibly too few bands at point  144  -0.16667   1.50000   0.50000

Possibly too few bands at point  145   0.00000   0.33333   1.00000

Possibly too few bands at point  146   0.00000   1.00000   1.00000

Possibly too few bands at point  147  -1.00000   0.00000   0.33333

Possibly too few bands at point  148  -1.00000   0.66667   0.33333

Possibly too few bands at point  149   0.00000  -0.33333  -1.00000

Possibly too few bands at point  150   0.00000   0.33333  -1.00000

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       8.2370  a.u.
     unit-cell volume          =     139.7163 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            2
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    8.23700  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Si  28.0855   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.6666667   0.0000000 )

      4 Sym.Ops. (no q -> -q+G )


     G cutoff =  412.4674  (   8801 G-vectors)     FFT grid: ( 30, 30, 30)

     number of k points=   150  Methfessel-Paxton smearing, width (Ry)=  0.0200

     PseudoPot. # 1 for Si read from file:
     ./Si.pz-vbc.UPF
     MD5 check sum: 6dfa03ddd5817404712e03e4d12deb78
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  431 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     PseudoPot. # 2 for C  read from file:
     ./C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_2v (mm2)  point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A_1  D_1  S_1  To be done

     Representation     2      1 modes -A_1  D_1  S_1  To be done

     Representation     3      1 modes -B_1  D_3  S_3  To be done

     Representation     4      1 modes -B_1  D_3  S_3  To be done

     Representation     5      1 modes -B_2  D_4  S_4  To be done

     Representation     6      1 modes -B_2  D_4  S_4  To be done



     Alpha used in Ewald sum =   2.5000
     PHONON       : 10m12.18s CPU     5m 6.46s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :   311.8 secs   av.it.:   6.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.486E-04

      iter #   2 total cpu time :   318.1 secs   av.it.:   8.3
      thresh= 1.577E-03 alpha_mix =  0.700 |ddv_scf|^2 =  6.865E-04

      iter #   3 total cpu time :   323.9 secs   av.it.:   7.3
      thresh= 2.620E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.087E-06

      iter #   4 total cpu time :   330.6 secs   av.it.:   8.5
      thresh= 1.043E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.227E-08

      iter #   5 total cpu time :   336.6 secs   av.it.:   7.9
      thresh= 2.688E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.640E-11

      iter #   6 total cpu time :   342.9 secs   av.it.:   8.5
      thresh= 5.138E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.212E-12

      iter #   7 total cpu time :   349.1 secs   av.it.:   8.2
      thresh= 1.101E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.615E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :   354.0 secs   av.it.:   5.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.080E-04

      iter #   2 total cpu time :   360.2 secs   av.it.:   8.4
      thresh= 1.039E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.209E-04

      iter #   3 total cpu time :   365.9 secs   av.it.:   7.4
      thresh= 1.791E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.019E-07

      iter #   4 total cpu time :   371.7 secs   av.it.:   7.7
      thresh= 3.193E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.404E-09

      iter #   5 total cpu time :   378.0 secs   av.it.:   8.5
      thresh= 4.903E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.377E-11

      iter #   6 total cpu time :   384.3 secs   av.it.:   8.5
      thresh= 9.153E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.491E-12

      iter #   7 total cpu time :   390.4 secs   av.it.:   8.3
      thresh= 1.578E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.298E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :   394.9 secs   av.it.:   5.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.000E-06

      iter #   2 total cpu time :   401.2 secs   av.it.:   8.7
      thresh= 1.000E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.460E-08

      iter #   3 total cpu time :   407.6 secs   av.it.:   8.6
      thresh= 2.337E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.119E-10

      iter #   4 total cpu time :   413.8 secs   av.it.:   8.3
      thresh= 1.766E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.999E-12

      iter #   5 total cpu time :   420.0 secs   av.it.:   8.4
      thresh= 1.732E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.681E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :   424.9 secs   av.it.:   5.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.807E-06

      iter #   2 total cpu time :   431.4 secs   av.it.:   8.8
      thresh= 2.794E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.847E-07

      iter #   3 total cpu time :   437.7 secs   av.it.:   8.5
      thresh= 6.962E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.065E-10

      iter #   4 total cpu time :   444.0 secs   av.it.:   8.6
      thresh= 1.437E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.703E-12

      iter #   5 total cpu time :   450.1 secs   av.it.:   8.1
      thresh= 2.775E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.319E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :   455.1 secs   av.it.:   5.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.807E-06

      iter #   2 total cpu time :   461.5 secs   av.it.:   8.8
      thresh= 2.794E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.847E-07

      iter #   3 total cpu time :   467.8 secs   av.it.:   8.5
      thresh= 6.962E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.068E-10

      iter #   4 total cpu time :   474.2 secs   av.it.:   8.6
      thresh= 1.438E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.716E-12

      iter #   5 total cpu time :   480.2 secs   av.it.:   8.1
      thresh= 2.778E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.311E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :   484.8 secs   av.it.:   5.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.000E-06

      iter #   2 total cpu time :   491.1 secs   av.it.:   8.7
      thresh= 1.000E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.460E-08

      iter #   3 total cpu time :   497.5 secs   av.it.:   8.6
      thresh= 2.337E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.120E-10

      iter #   4 total cpu time :   503.7 secs   av.it.:   8.3
      thresh= 1.766E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.000E-12

      iter #   5 total cpu time :   509.9 secs   av.it.:   8.4
      thresh= 1.732E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.667E-15

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    6
     List of q in the star:
          1   0.000000000   0.666666667   0.000000000
          2   0.000000000   0.000000000  -0.666666667
          3  -0.666666667   0.000000000   0.000000000
          4   0.666666667   0.000000000   0.000000000
          5   0.000000000  -0.666666667   0.000000000
          6   0.000000000   0.000000000   0.666666667

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.666666667   0.000000000 ) 

 **************************************************************************
     freq (    1) =       9.744077 [THz] =     325.027411 [cm-1]
     freq (    2) =       9.744077 [THz] =     325.027411 [cm-1]
     freq (    3) =      15.077902 [THz] =     502.944676 [cm-1]
     freq (    4) =      22.339301 [THz] =     745.158880 [cm-1]
     freq (    5) =      22.339301 [THz] =     745.158880 [cm-1]
     freq (    6) =      26.067326 [THz] =     869.512407 [cm-1]
 **************************************************************************

     Mode symmetry, C_2v (mm2)  point group:

     freq (  1 -  1) =        325.0  [cm-1]   --> B_1  D_3  S_3      
     freq (  2 -  2) =        325.0  [cm-1]   --> B_2  D_4  S_4      
     freq (  3 -  3) =        502.9  [cm-1]   --> A_1  D_1  S_1      
     freq (  4 -  4) =        745.2  [cm-1]   --> B_1  D_3  S_3      
     freq (  5 -  5) =        745.2  [cm-1]   --> B_2  D_4  S_4      
     freq (  6 -  6) =        869.5  [cm-1]   --> A_1  D_1  S_1      

     Calculation of q =    0.6666667  -0.0000000   0.6666667

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         559     559    199                 8801     8801    1917



     bravais-lattice index     =            2
     lattice parameter (alat)  =       8.2370  a.u.
     unit-cell volume          =     139.7163 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            2
     number of electrons       =         8.00
     number of Kohn-Sham states=            4
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   8.237000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Si read from file:
     ./Si.pz-vbc.UPF
     MD5 check sum: 6dfa03ddd5817404712e03e4d12deb78
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  431 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     PseudoPot. # 2 for C  read from file:
     ./C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Si             4.00    28.08550     Si( 1.00)
        C              4.00    12.01078     C ( 1.00)

     24 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Si  tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=   252  Methfessel-Paxton smearing, width (Ry)=  0.0200

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     8801 G-vectors     FFT dimensions: (  30,  30,  30)

     Largest allocated arrays     est. size (Mb)     dimensions
        Kohn-Sham Wavefunctions         0.07 Mb     (    1113,    4)
        NL pseudopotentials             0.14 Mb     (    1113,    8)
        Each V/rho on FFT grid          0.41 Mb     (   27000)
        Each G-vector array             0.07 Mb     (    8801)
        G-vector shells                 0.00 Mb     (     140)
     Largest temporary arrays     est. size (Mb)     dimensions
        Auxiliary wavefunctions         0.27 Mb     (    1113,   16)
        Each subspace H/S matrix        0.00 Mb     (      16,   16)
        Each <psi_i|beta_j> matrix      0.00 Mb     (       8,    4)

     The potential is recalculated from file :
     ./_ph0/sic.q_4/sic.save/charge-density.dat

     Starting wfc are   13 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.4

     total cpu time spent up to now is       66.0 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     9.3777 ev

     Writing output data file sic.save

Possibly too few bands at point    1   0.00000   0.00000   0.00000

Possibly too few bands at point    2   0.66667  -0.00000   0.66667

Possibly too few bands at point    3  -0.16667   0.16667  -0.16667

Possibly too few bands at point    4   0.50000   0.16667   0.50000

Possibly too few bands at point    5  -0.33333   0.33333  -0.33333

Possibly too few bands at point    6   0.33333   0.33333   0.33333

Possibly too few bands at point    7   0.50000  -0.50000   0.50000

Possibly too few bands at point    8   1.16667  -0.50000   1.16667

Possibly too few bands at point    9   0.00000   0.33333   0.00000

Possibly too few bands at point   10   0.66667   0.33333   0.66667

Possibly too few bands at point   11  -0.16667   0.50000  -0.16667

Possibly too few bands at point   12   0.50000   0.50000   0.50000

Possibly too few bands at point   13   0.66667  -0.33333   0.66667

Possibly too few bands at point   14   1.33333  -0.33333   1.33333

Possibly too few bands at point   15   0.50000  -0.16667   0.50000

Possibly too few bands at point   16   1.16667  -0.16667   1.16667

Possibly too few bands at point   17   0.33333   0.00000   0.33333

Possibly too few bands at point   18   1.00000  -0.00000   1.00000

Possibly too few bands at point   19   0.00000   0.66667   0.00000

Possibly too few bands at point   20   0.66667   0.66667   0.66667

Possibly too few bands at point   21   0.83333  -0.16667   0.83333

Possibly too few bands at point   22   1.50000  -0.16667   1.50000

Possibly too few bands at point   23   0.66667  -0.00000   0.66667

Possibly too few bands at point   24   1.33333  -0.00000   1.33333

Possibly too few bands at point   25   0.00000  -1.00000   0.00000

Possibly too few bands at point   26   0.66667  -1.00000   0.66667

Possibly too few bands at point   27   0.66667  -0.33333   1.00000

Possibly too few bands at point   28   1.33333  -0.33333   1.66667

Possibly too few bands at point   29   0.50000  -0.16667   0.83333

Possibly too few bands at point   30   1.16667  -0.16667   1.50000

Possibly too few bands at point   31  -0.33333  -1.00000   0.00000

Possibly too few bands at point   32   0.33333  -1.00000   0.66667

Possibly too few bands at point   33   0.16667   0.16667   0.16667

Possibly too few bands at point   34   0.83333   0.16667   0.83333

Possibly too few bands at point   35   0.16667  -0.16667  -0.16667

Possibly too few bands at point   36   0.83333  -0.16667   0.50000

Possibly too few bands at point   37   0.16667  -0.16667   0.16667

Possibly too few bands at point   38   0.83333  -0.16667   0.83333

Possibly too few bands at point   39  -0.16667   0.16667   0.16667

Possibly too few bands at point   40   0.50000   0.16667   0.83333

Possibly too few bands at point   41  -0.16667  -0.16667  -0.16667

Possibly too few bands at point   42   0.50000  -0.16667   0.50000

Possibly too few bands at point   43   0.33333   0.33333   0.33333

Possibly too few bands at point   44   1.00000   0.33333   1.00000

Possibly too few bands at point   45   0.33333  -0.33333  -0.33333

Possibly too few bands at point   46   1.00000  -0.33333   0.33333

Possibly too few bands at point   47   0.33333  -0.33333   0.33333

Possibly too few bands at point   48   1.00000  -0.33333   1.00000

Possibly too few bands at point   49  -0.33333   0.33333   0.33333

Possibly too few bands at point   50   0.33333   0.33333   1.00000

Possibly too few bands at point   51  -0.33333  -0.33333  -0.33333

Possibly too few bands at point   52   0.33333  -0.33333   0.33333

Possibly too few bands at point   53  -0.50000  -0.50000  -0.50000

Possibly too few bands at point   54   0.16667  -0.50000   0.16667

Possibly too few bands at point   55  -0.50000   0.50000   0.50000

Possibly too few bands at point   56   0.16667   0.50000   1.16667

Possibly too few bands at point   57   0.00000   0.00000  -0.33333

Possibly too few bands at point   58   0.66667  -0.00000   0.33333

Possibly too few bands at point   59   0.33333   0.00000   0.00000

Possibly too few bands at point   60   1.00000  -0.00000   0.66667

Possibly too few bands at point   61   0.00000  -0.33333   0.00000

Possibly too few bands at point   62   0.66667  -0.33333   0.66667

Possibly too few bands at point   63   0.16667   0.50000   0.16667

Possibly too few bands at point   64   0.83333   0.50000   0.83333

Possibly too few bands at point   65  -0.16667   0.16667  -0.50000

Possibly too few bands at point   66   0.50000   0.16667   0.16667

Possibly too few bands at point   67   0.50000   0.16667   0.16667

Possibly too few bands at point   68   1.16667   0.16667   0.83333

Possibly too few bands at point   69   0.16667  -0.50000  -0.16667

Possibly too few bands at point   70   0.83333  -0.50000   0.50000

Possibly too few bands at point   71  -0.16667  -0.16667   0.50000

Possibly too few bands at point   72   0.50000  -0.16667   1.16667

Possibly too few bands at point   73   0.16667  -0.16667  -0.50000

Possibly too few bands at point   74   0.83333  -0.16667   0.16667

Possibly too few bands at point   75   0.16667  -0.50000   0.16667

Possibly too few bands at point   76   0.83333  -0.50000   0.83333

Possibly too few bands at point   77  -0.16667   0.50000   0.16667

Possibly too few bands at point   78   0.50000   0.50000   0.83333

Possibly too few bands at point   79  -0.16667  -0.50000  -0.16667

Possibly too few bands at point   80   0.50000  -0.50000   0.50000

Possibly too few bands at point   81   0.16667  -0.16667   0.50000

Possibly too few bands at point   82   0.83333  -0.16667   1.16667

Possibly too few bands at point   83   0.16667   0.16667  -0.50000

Possibly too few bands at point   84   0.83333   0.16667   0.16667

Possibly too few bands at point   85  -0.16667  -0.16667  -0.50000

Possibly too few bands at point   86   0.50000  -0.16667   0.16667

Possibly too few bands at point   87  -0.16667   0.16667   0.50000

Possibly too few bands at point   88   0.50000   0.16667   1.16667

Possibly too few bands at point   89  -0.66667  -0.33333  -0.66667

Possibly too few bands at point   90   0.00000  -0.33333   0.00000

Possibly too few bands at point   91   0.66667  -0.66667   0.33333

Possibly too few bands at point   92   1.33333  -0.66667   1.00000

Possibly too few bands at point   93  -0.33333  -0.66667  -0.66667

Possibly too few bands at point   94   0.33333  -0.66667   0.00000

Possibly too few bands at point   95  -0.66667   0.33333   0.66667

Possibly too few bands at point   96   0.00000   0.33333   1.33333

Possibly too few bands at point   97   0.66667   0.66667  -0.33333

Possibly too few bands at point   98   1.33333   0.66667   0.33333

Possibly too few bands at point   99  -0.66667   0.66667   0.33333

Possibly too few bands at point  100   0.00000   0.66667   1.00000

Possibly too few bands at point  101  -0.66667   0.33333  -0.66667

Possibly too few bands at point  102   0.00000   0.33333   0.00000

Possibly too few bands at point  103   0.66667  -0.33333  -0.66667

Possibly too few bands at point  104   1.33333  -0.33333   0.00000

Possibly too few bands at point  105   0.66667   0.33333   0.66667

Possibly too few bands at point  106   1.33333   0.33333   1.33333

Possibly too few bands at point  107  -0.66667   0.66667  -0.33333

Possibly too few bands at point  108   0.00000   0.66667   0.33333

Possibly too few bands at point  109  -0.66667  -0.66667   0.33333

Possibly too few bands at point  110   0.00000  -0.66667   1.00000

Possibly too few bands at point  111   0.66667   0.66667   0.33333

Possibly too few bands at point  112   1.33333   0.66667   1.00000

Possibly too few bands at point  113   0.66667  -0.66667  -0.33333

Possibly too few bands at point  114   1.33333  -0.66667   0.33333

Possibly too few bands at point  115  -0.50000  -0.16667  -0.50000

Possibly too few bands at point  116   0.16667  -0.16667   0.16667

Possibly too few bands at point  117   0.50000  -0.50000   0.16667

Possibly too few bands at point  118   1.16667  -0.50000   0.83333

Possibly too few bands at point  119  -0.16667  -0.50000  -0.50000

Possibly too few bands at point  120   0.50000  -0.50000   0.16667

Possibly too few bands at point  121  -0.50000   0.16667   0.50000

Possibly too few bands at point  122   0.16667   0.16667   1.16667

Possibly too few bands at point  123   0.50000   0.50000  -0.16667

Possibly too few bands at point  124   1.16667   0.50000   0.50000

Possibly too few bands at point  125  -0.50000   0.50000   0.16667

Possibly too few bands at point  126   0.16667   0.50000   0.83333

Possibly too few bands at point  127  -0.50000   0.16667  -0.50000

Possibly too few bands at point  128   0.16667   0.16667   0.16667

Possibly too few bands at point  129   0.50000  -0.16667  -0.50000

Possibly too few bands at point  130   1.16667  -0.16667   0.16667

Possibly too few bands at point  131   0.50000   0.16667   0.50000

Possibly too few bands at point  132   1.16667   0.16667   1.16667

Possibly too few bands at point  133  -0.50000   0.50000  -0.16667

Possibly too few bands at point  134   0.16667   0.50000   0.50000

Possibly too few bands at point  135  -0.50000  -0.50000   0.16667

Possibly too few bands at point  136   0.16667  -0.50000   0.83333

Possibly too few bands at point  137   0.50000   0.50000   0.16667

Possibly too few bands at point  138   1.16667   0.50000   0.83333

Possibly too few bands at point  139   0.50000  -0.50000  -0.16667

Possibly too few bands at point  140   1.16667  -0.50000   0.50000

Possibly too few bands at point  141  -0.33333   0.00000  -0.33333

Possibly too few bands at point  142   0.33333  -0.00000   0.33333

Possibly too few bands at point  143   0.33333  -0.33333   0.00000

Possibly too few bands at point  144   1.00000  -0.33333   0.66667

Possibly too few bands at point  145   0.00000  -0.33333  -0.33333

Possibly too few bands at point  146   0.66667  -0.33333   0.33333

Possibly too few bands at point  147  -0.33333   0.00000   0.33333

Possibly too few bands at point  148   0.33333  -0.00000   1.00000

Possibly too few bands at point  149   0.33333   0.33333   0.00000

Possibly too few bands at point  150   1.00000   0.33333   0.66667

Possibly too few bands at point  151  -0.33333   0.33333   0.00000

Possibly too few bands at point  152   0.33333   0.33333   0.66667

Possibly too few bands at point  153   0.00000   0.00000  -0.66667

Possibly too few bands at point  154   0.66667  -0.00000   0.00000

Possibly too few bands at point  155   0.66667   0.00000   0.00000

Possibly too few bands at point  156   1.33333  -0.00000   0.66667

Possibly too few bands at point  157   0.00000  -0.66667   0.00000

Possibly too few bands at point  158   0.66667  -0.66667   0.66667

Possibly too few bands at point  159  -0.83333  -0.16667  -0.83333

Possibly too few bands at point  160  -0.16667  -0.16667  -0.16667

Possibly too few bands at point  161   0.83333  -0.83333   0.16667

Possibly too few bands at point  162   1.50000  -0.83333   0.83333

Possibly too few bands at point  163  -0.16667  -0.83333  -0.83333

Possibly too few bands at point  164   0.50000  -0.83333  -0.16667

Possibly too few bands at point  165  -0.83333   0.16667   0.83333

Possibly too few bands at point  166  -0.16667   0.16667   1.50000

Possibly too few bands at point  167   0.83333   0.83333  -0.16667

Possibly too few bands at point  168   1.50000   0.83333   0.50000

Possibly too few bands at point  169  -0.83333   0.83333   0.16667

Possibly too few bands at point  170  -0.16667   0.83333   0.83333

Possibly too few bands at point  171  -0.83333   0.16667  -0.83333

Possibly too few bands at point  172  -0.16667   0.16667  -0.16667

Possibly too few bands at point  173   0.83333  -0.16667  -0.83333

Possibly too few bands at point  174   1.50000  -0.16667  -0.16667

Possibly too few bands at point  175   0.83333   0.16667   0.83333

Possibly too few bands at point  176   1.50000   0.16667   1.50000

Possibly too few bands at point  177  -0.83333   0.83333  -0.16667

Possibly too few bands at point  178  -0.16667   0.83333   0.50000

Possibly too few bands at point  179  -0.83333  -0.83333   0.16667

Possibly too few bands at point  180  -0.16667  -0.83333   0.83333

Possibly too few bands at point  181   0.83333   0.83333   0.16667

Possibly too few bands at point  182   1.50000   0.83333   0.83333

Possibly too few bands at point  183   0.83333  -0.83333  -0.16667

Possibly too few bands at point  184   1.50000  -0.83333   0.50000

Possibly too few bands at point  185  -0.66667   0.00000  -0.66667

Possibly too few bands at point  186   0.00000  -0.00000   0.00000

Possibly too few bands at point  187   0.66667  -0.66667   0.00000

Possibly too few bands at point  188   1.33333  -0.66667   0.66667

Possibly too few bands at point  189   0.00000  -0.66667  -0.66667

Possibly too few bands at point  190   0.66667  -0.66667   0.00000

Possibly too few bands at point  191  -0.66667   0.00000   0.66667

Possibly too few bands at point  192   0.00000  -0.00000   1.33333

Possibly too few bands at point  193   0.66667   0.66667   0.00000

Possibly too few bands at point  194   1.33333   0.66667   0.66667

Possibly too few bands at point  195  -0.66667   0.66667   0.00000

Possibly too few bands at point  196   0.00000   0.66667   0.66667

Possibly too few bands at point  197   0.00000   0.00000   1.00000

Possibly too few bands at point  198   0.66667  -0.00000   1.66667

Possibly too few bands at point  199  -0.66667  -0.33333  -1.00000

Possibly too few bands at point  200   0.00000  -0.33333  -0.33333

Possibly too few bands at point  201   1.00000  -0.66667   0.33333

Possibly too few bands at point  202   1.66667  -0.66667   1.00000

Possibly too few bands at point  203  -0.33333  -1.00000  -0.66667

Possibly too few bands at point  204   0.33333  -1.00000   0.00000

Possibly too few bands at point  205  -0.66667   0.33333   1.00000

Possibly too few bands at point  206   0.00000   0.33333   1.66667

Possibly too few bands at point  207   1.00000   0.66667  -0.33333

Possibly too few bands at point  208   1.66667   0.66667   0.33333

Possibly too few bands at point  209   0.33333  -1.00000   0.66667

Possibly too few bands at point  210   1.00000  -1.00000   1.33333

Possibly too few bands at point  211  -1.00000  -0.66667  -0.33333

Possibly too few bands at point  212  -0.33333  -0.66667   0.33333

Possibly too few bands at point  213  -1.00000   0.66667   0.33333

Possibly too few bands at point  214  -0.33333   0.66667   1.00000

Possibly too few bands at point  215   0.66667   0.33333  -1.00000

Possibly too few bands at point  216   1.33333   0.33333  -0.33333

Possibly too few bands at point  217  -0.33333   1.00000   0.66667

Possibly too few bands at point  218   0.33333   1.00000   1.33333

Possibly too few bands at point  219   0.33333   1.00000  -0.66667

Possibly too few bands at point  220   1.00000   1.00000   0.00000

Possibly too few bands at point  221  -0.50000  -0.16667  -0.83333

Possibly too few bands at point  222   0.16667  -0.16667  -0.16667

Possibly too few bands at point  223   0.83333  -0.50000   0.16667

Possibly too few bands at point  224   1.50000  -0.50000   0.83333

Possibly too few bands at point  225  -0.16667  -0.83333  -0.50000

Possibly too few bands at point  226   0.50000  -0.83333   0.16667

Possibly too few bands at point  227  -0.50000   0.16667   0.83333

Possibly too few bands at point  228   0.16667   0.16667   1.50000

Possibly too few bands at point  229   0.83333   0.50000  -0.16667

Possibly too few bands at point  230   1.50000   0.50000   0.50000

Possibly too few bands at point  231   0.16667  -0.83333   0.50000

Possibly too few bands at point  232   0.83333  -0.83333   1.16667

Possibly too few bands at point  233  -0.83333  -0.50000  -0.16667

Possibly too few bands at point  234  -0.16667  -0.50000   0.50000

Possibly too few bands at point  235  -0.83333   0.50000   0.16667

Possibly too few bands at point  236  -0.16667   0.50000   0.83333

Possibly too few bands at point  237   0.50000   0.16667  -0.83333

Possibly too few bands at point  238   1.16667   0.16667  -0.16667

Possibly too few bands at point  239  -0.16667   0.83333   0.50000

Possibly too few bands at point  240   0.50000   0.83333   1.16667

Possibly too few bands at point  241   0.16667   0.83333  -0.50000

Possibly too few bands at point  242   0.83333   0.83333   0.16667

Possibly too few bands at point  243   0.33333  -1.00000   0.00000

Possibly too few bands at point  244   1.00000  -1.00000   0.66667

Possibly too few bands at point  245   0.00000   0.33333   1.00000

Possibly too few bands at point  246   0.66667   0.33333   1.66667

Possibly too few bands at point  247  -1.00000   0.00000   0.33333

Possibly too few bands at point  248  -0.33333  -0.00000   1.00000

Possibly too few bands at point  249   0.00000  -0.33333  -1.00000

Possibly too few bands at point  250   0.66667  -0.33333  -0.33333

Possibly too few bands at point  251   1.00000   0.00000  -0.33333

Possibly too few bands at point  252   1.66667  -0.00000   0.33333

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       8.2370  a.u.
     unit-cell volume          =     139.7163 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            2
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    8.23700  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Si  28.0855   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.6666667  -0.0000000   0.6666667 )

      2 Sym.Ops. (no q -> -q+G )


     G cutoff =  412.4674  (   8801 G-vectors)     FFT grid: ( 30, 30, 30)

     number of k points=   252  Methfessel-Paxton smearing, width (Ry)=  0.0200

     PseudoPot. # 1 for Si read from file:
     ./Si.pz-vbc.UPF
     MD5 check sum: 6dfa03ddd5817404712e03e4d12deb78
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  431 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     PseudoPot. # 2 for C  read from file:
     ./C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A'  To be done

     Representation     4      1 modes -A'  To be done

     Representation     5      1 modes -A''  To be done

     Representation     6      1 modes -A''  To be done



     Alpha used in Ewald sum =   2.5000
     PHONON       : 17m54.52s CPU     8m57.92s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :   546.4 secs   av.it.:   6.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.386E-05

      iter #   2 total cpu time :   557.3 secs   av.it.:   8.8
      thresh= 6.622E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.771E-05

      iter #   3 total cpu time :   567.5 secs   av.it.:   8.2
      thresh= 5.264E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.013E-07

      iter #   4 total cpu time :   578.0 secs   av.it.:   8.4
      thresh= 4.487E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.355E-08

      iter #   5 total cpu time :   588.6 secs   av.it.:   8.5
      thresh= 1.164E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.109E-10

      iter #   6 total cpu time :   599.1 secs   av.it.:   8.5
      thresh= 2.848E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.538E-12

      iter #   7 total cpu time :   609.7 secs   av.it.:   8.6
      thresh= 2.557E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.552E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :   617.6 secs   av.it.:   5.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.575E-06

      iter #   2 total cpu time :   628.6 secs   av.it.:   9.0
      thresh= 3.094E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.953E-06

      iter #   3 total cpu time :   639.2 secs   av.it.:   8.5
      thresh= 2.440E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.596E-07

      iter #   4 total cpu time :   649.4 secs   av.it.:   8.1
      thresh= 5.095E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.602E-09

      iter #   5 total cpu time :   660.0 secs   av.it.:   8.5
      thresh= 5.101E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.418E-10

      iter #   6 total cpu time :   670.5 secs   av.it.:   8.4
      thresh= 1.555E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.228E-11

      iter #   7 total cpu time :   681.2 secs   av.it.:   8.6
      thresh= 3.505E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.775E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :   689.7 secs   av.it.:   6.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.230E-05

      iter #   2 total cpu time :   700.5 secs   av.it.:   8.8
      thresh= 6.504E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.528E-05

      iter #   3 total cpu time :   710.8 secs   av.it.:   8.2
      thresh= 5.028E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.556E-07

      iter #   4 total cpu time :   721.3 secs   av.it.:   8.3
      thresh= 7.454E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.110E-08

      iter #   5 total cpu time :   731.9 secs   av.it.:   8.5
      thresh= 1.053E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.132E-10

      iter #   6 total cpu time :   742.4 secs   av.it.:   8.5
      thresh= 2.671E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.567E-12

      iter #   7 total cpu time :   753.1 secs   av.it.:   8.6
      thresh= 2.563E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.365E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :   761.1 secs   av.it.:   5.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.009E-05

      iter #   2 total cpu time :   772.0 secs   av.it.:   9.0
      thresh= 4.482E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.591E-05

      iter #   3 total cpu time :   782.4 secs   av.it.:   8.2
      thresh= 5.090E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.854E-07

      iter #   4 total cpu time :   792.8 secs   av.it.:   8.3
      thresh= 4.306E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.949E-09

      iter #   5 total cpu time :   803.1 secs   av.it.:   8.2
      thresh= 5.431E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.730E-10

      iter #   6 total cpu time :   813.8 secs   av.it.:   8.6
      thresh= 1.315E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.474E-11

      iter #   7 total cpu time :   824.5 secs   av.it.:   8.6
      thresh= 3.840E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.037E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :   832.0 secs   av.it.:   5.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.614E-07

      iter #   2 total cpu time :   842.8 secs   av.it.:   8.8
      thresh= 8.726E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.358E-08

      iter #   3 total cpu time :   853.5 secs   av.it.:   8.6
      thresh= 1.833E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.924E-10

      iter #   4 total cpu time :   863.8 secs   av.it.:   8.2
      thresh= 1.710E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.375E-12

      iter #   5 total cpu time :   874.1 secs   av.it.:   8.2
      thresh= 1.837E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.479E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :   882.3 secs   av.it.:   5.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.798E-06

      iter #   2 total cpu time :   893.2 secs   av.it.:   8.8
      thresh= 2.607E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.450E-07

      iter #   3 total cpu time :   903.8 secs   av.it.:   8.6
      thresh= 5.873E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.015E-10

      iter #   4 total cpu time :   914.3 secs   av.it.:   8.5
      thresh= 1.420E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.188E-12

      iter #   5 total cpu time :   924.6 secs   av.it.:   8.1
      thresh= 2.681E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.613E-15

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   12
     List of q in the star:
          1   0.666666667   0.000000000   0.666666667
          2  -0.666666667   0.000000000  -0.666666667
          3   0.666666667  -0.666666667   0.000000000
          4   0.000000000  -0.666666667   0.666666667
          5   0.000000000  -0.666666667  -0.666666667
          6  -0.666666667   0.000000000   0.666666667
          7   0.666666667   0.666666667   0.000000000
          8  -0.666666667  -0.666666667   0.000000000
          9  -0.666666667   0.666666667   0.000000000
         10   0.666666667   0.000000000  -0.666666667
         11   0.000000000   0.666666667   0.666666667
         12   0.000000000   0.666666667  -0.666666667

     Diagonalizing the dynamical matrix

     q = (    0.666666667  -0.000000000   0.666666667 ) 

 **************************************************************************
     freq (    1) =      10.086387 [THz] =     336.445641 [cm-1]
     freq (    2) =      13.796464 [THz] =     460.200509 [cm-1]
     freq (    3) =      15.873857 [THz] =     529.494876 [cm-1]
     freq (    4) =      21.902462 [THz] =     730.587478 [cm-1]
     freq (    5) =      22.151414 [THz] =     738.891628 [cm-1]
     freq (    6) =      25.021527 [THz] =     834.628290 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =        336.4  [cm-1]   --> A''                
     freq (  2 -  2) =        460.2  [cm-1]   --> A'                 
     freq (  3 -  3) =        529.5  [cm-1]   --> A'                 
     freq (  4 -  4) =        730.6  [cm-1]   --> A''                
     freq (  5 -  5) =        738.9  [cm-1]   --> A'                 
     freq (  6 -  6) =        834.6  [cm-1]   --> A'                 

     init_run     :      1.10s CPU      0.55s WALL (       3 calls)
     electrons    :    130.18s CPU     65.15s WALL (       3 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (       3 calls)
     potinit      :      0.05s CPU      0.02s WALL (       3 calls)

     Called by electrons:
     c_bands      :    130.17s CPU     65.15s WALL (       3 calls)
     v_of_rho     :      0.04s CPU      0.02s WALL (       4 calls)

     Called by c_bands:
     init_us_2    :      9.40s CPU      4.72s WALL (   11420 calls)
     cegterg      :     98.79s CPU     49.44s WALL (     514 calls)

     Called by sum_band:

     Called by *egterg:
     h_psi        :   1445.72s CPU    723.51s WALL (  100923 calls)
     g_psi        :      1.02s CPU      0.51s WALL (    5352 calls)
     cdiaghg      :      0.54s CPU      0.26s WALL (    5866 calls)

     Called by h_psi:
     add_vuspsi   :      9.03s CPU      4.46s WALL (  100923 calls)

     General routines
     calbec       :     19.25s CPU      9.54s WALL (  204780 calls)
     fft          :      1.42s CPU      0.71s WALL (     454 calls)
     ffts         :      5.32s CPU      2.68s WALL (    1874 calls)
     fftw         :   1606.94s CPU    804.29s WALL (  860368 calls)
     davcio       :      1.60s CPU      0.79s WALL (   48733 calls)

     Parallel routines
     fft_scatter  :     62.31s CPU     31.22s WALL (  862696 calls)

     PHONON       : 30m47.21s CPU    15m24.70s WALL

     INITIALIZATION: 
     phq_setup    :      0.06s CPU      0.03s WALL (       4 calls)
     phq_init     :      2.64s CPU      1.32s WALL (       4 calls)

     phq_init     :      2.64s CPU      1.32s WALL (       4 calls)
     init_vloc    :      0.02s CPU      0.01s WALL (       4 calls)
     init_us_1    :      0.43s CPU      0.22s WALL (       4 calls)

     DYNAMICAL MATRIX:
     dynmat0      :      0.98s CPU      0.49s WALL (       4 calls)
     phqscf       :   1711.93s CPU    856.98s WALL (       4 calls)
     dynmatrix    :      0.01s CPU      0.00s WALL (       4 calls)

     phqscf       :   1711.93s CPU    856.98s WALL (       4 calls)
     solve_linter :   1709.25s CPU    855.61s WALL (      18 calls)
     drhodv       :      2.63s CPU      1.33s WALL (      18 calls)

     dynmat0      :      0.98s CPU      0.49s WALL (       4 calls)
     dynmat_us    :      0.88s CPU      0.44s WALL (       4 calls)
     d2ionq       :      0.10s CPU      0.05s WALL (       4 calls)

     dynmat_us    :      0.88s CPU      0.44s WALL (       4 calls)

     phqscf       :   1711.93s CPU    856.98s WALL (       4 calls)
     solve_linter :   1709.25s CPU    855.61s WALL (      18 calls)

     solve_linter :   1709.25s CPU    855.61s WALL (      18 calls)
     dvqpsi_us    :     32.71s CPU     16.39s WALL (    1638 calls)
     ortho        :      1.42s CPU      0.70s WALL (    9626 calls)
     cgsolve      :   1367.14s CPU    684.17s WALL (    9626 calls)
     incdrhoscf   :    160.91s CPU     80.60s WALL (    9626 calls)
     vpsifft      :    130.72s CPU     65.49s WALL (    7988 calls)
     dv_of_drho   :      1.32s CPU      0.66s WALL (     130 calls)
     mix_pot      :      0.48s CPU      0.27s WALL (     105 calls)
     ef_shift     :      0.20s CPU      0.10s WALL (      10 calls)
     localdos     :      0.53s CPU      0.27s WALL (       2 calls)
     psymdvscf    :      3.96s CPU      1.98s WALL (     105 calls)

     dvqpsi_us    :     32.71s CPU     16.39s WALL (    1638 calls)
     dvqpsi_us_on :      0.63s CPU      0.31s WALL (    1638 calls)

     cgsolve      :   1367.14s CPU    684.17s WALL (    9626 calls)
     ch_psi       :   1355.24s CPU    678.27s WALL (   94543 calls)

     ch_psi       :   1355.24s CPU    678.27s WALL (   94543 calls)
     last         :     28.81s CPU     14.37s WALL (   94543 calls)

     add_vuspsi   :      9.03s CPU      4.46s WALL (  100923 calls)

     incdrhoscf   :    160.91s CPU     80.60s WALL (    9626 calls)


      General routines
     calbec       :     19.25s CPU      9.54s WALL (  204780 calls)
     fft          :      1.42s CPU      0.71s WALL (     454 calls)
     ffts         :      5.32s CPU      2.68s WALL (    1874 calls)
     fftw         :   1606.94s CPU    804.29s WALL (  860368 calls)
     davcio       :      1.60s CPU      0.79s WALL (   48733 calls)
     write_rec    :      0.22s CPU      0.13s WALL (     123 calls)


     PHONON       : 30m47.21s CPU    15m24.70s WALL


   This run was terminated on:  12:43:11  21Jun2016            

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=
