
     Program PHONON v.6.3rc starts on 18Jun2018 at 10:54:23 

     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);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     1 processors

     MPI processes distributed on     1 nodes

     Reading data from directory:
     ./sic.save/

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation      = PZ ( 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         187     187     61                 1687     1687     339



     Dynamical matrices for ( 3, 3, 3)  uniform grid of q-points
     (   4 q-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

     --                                                                         

     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    =      20.0000  Ry
     charge density cut-off    =      80.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PZ ( 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 =  137.4891  (   1687 G-vectors)     FFT grid: ( 18, 18, 18)
     number of k points=    16

     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:


     Electric field:
     Dielectric constant
     Born effective charges in two ways 


     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 =   0.8000
     PHONON       :     0.18s CPU         0.13s WALL


     Electric Fields Calculation

      iter #   1 total cpu time :     1.5 secs   av.it.:   5.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.621E-07

      iter #   2 total cpu time :     1.8 secs   av.it.:   9.0
      thresh= 6.017E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.805E-09

      iter #   3 total cpu time :     2.2 secs   av.it.:   9.2
      thresh= 6.168E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.924E-10

      iter #   4 total cpu time :     2.5 secs   av.it.:   9.4
      thresh= 1.387E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.340E-12

      iter #   5 total cpu time :     2.8 secs   av.it.:   8.7
      thresh= 1.158E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.157E-14

     End of electric fields calculation

          Dielectric constant in cartesian axis 

          (       8.351550870      -0.000000000       0.000000000 )
          (      -0.000000000       8.351550870       0.000000000 )
          (      -0.000000000       0.000000000       8.351550870 )

          Effective charges (d Force / dE) in cartesian axis

           atom      1   Si 
      Ex  (        2.48378       -0.00000        0.00000 )
      Ey  (        0.00000        2.48378       -0.00000 )
      Ez  (       -0.00000       -0.00000        2.48378 )
           atom      2   C  
      Ex  (       -2.69922       -0.00000       -0.00000 )
      Ey  (       -0.00000       -2.69922       -0.00000 )
      Ez  (       -0.00000       -0.00000       -2.69922 )


     Representation #  1 modes #   1  2  3

     Self-consistent Calculation

      iter #   1 total cpu time :     3.2 secs   av.it.:   5.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.719E-06

      iter #   2 total cpu time :     3.5 secs   av.it.:   9.5
      thresh= 1.311E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.041E-08

      iter #   3 total cpu time :     3.9 secs   av.it.:   9.4
      thresh= 1.429E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.751E-11

      iter #   4 total cpu time :     4.2 secs   av.it.:   9.1
      thresh= 7.584E-07 alpha_mix =  0.700 |ddv_scf|^2 =  8.805E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   4  5  6

     Self-consistent Calculation

      iter #   1 total cpu time :     4.5 secs   av.it.:   5.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.642E-08

      iter #   2 total cpu time :     4.8 secs   av.it.:   9.2
      thresh= 2.940E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.958E-10

      iter #   3 total cpu time :     5.2 secs   av.it.:   8.9
      thresh= 2.993E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.614E-11

      iter #   4 total cpu time :     5.5 secs   av.it.:   8.8
      thresh= 8.133E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.336E-12

      iter #   5 total cpu time :     5.8 secs   av.it.:   8.9
      thresh= 1.156E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.280E-15

     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

          Dielectric constant in cartesian axis 

          (       8.351550870      -0.000000000       0.000000000 )
          (      -0.000000000       8.351550870       0.000000000 )
          (      -0.000000000       0.000000000       8.351550870 )

          Effective charges (d Force / dE) in cartesian axis

           atom      1   Si 
      Ex  (        2.48378       -0.00000        0.00000 )
      Ey  (        0.00000        2.48378       -0.00000 )
      Ez  (       -0.00000       -0.00000        2.48378 )
           atom      2   C  
      Ex  (       -2.69922       -0.00000       -0.00000 )
      Ey  (       -0.00000       -2.69922       -0.00000 )
      Ez  (       -0.00000       -0.00000       -2.69922 )

          Effective charges (d P / du) in cartesian axis 

           atom      1   Si 
      Px  (        2.48390       -0.00000        0.00000 )
      Py  (       -0.00000        2.48390        0.00000 )
      Pz  (        0.00000        0.00000        2.48390 )
           atom      2   C  
      Px  (       -2.70003       -0.00000        0.00000 )
      Py  (       -0.00000       -2.70003        0.00000 )
      Pz  (        0.00000        0.00000       -2.70003 )

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       0.434616 [THz] =      14.497231 [cm-1]
     freq (    2) =       0.434616 [THz] =      14.497231 [cm-1]
     freq (    3) =       0.434616 [THz] =      14.497231 [cm-1]
     freq (    4) =      24.601462 [THz] =     820.616438 [cm-1]
     freq (    5) =      24.601462 [THz] =     820.616438 [cm-1]
     freq (    6) =      24.601462 [THz] =     820.616438 [cm-1]
 **************************************************************************

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

     freq (  1 -  3) =         14.5  [cm-1]   --> T_2  G_15 P_4   I+R
     freq (  4 -  6) =        820.6  [cm-1]   --> T_2  G_15 P_4   I+R

     Calculation of q =   -0.3333333   0.3333333  -0.3333333

     Subspace diagonalization in iterative solution of the eigenvalue problem:
     a serial algorithm will be used


     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         187     187     85                 1687     1687     459


     Title: 
     --                                                                         


     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     =      20.0000  Ry
     charge density cutoff     =      80.0000  Ry
     Exchange-correlation      = PZ ( 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

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

     Dense  grid:     1687 G-vectors     FFT dimensions: (  18,  18,  18)

     Estimated max dynamical RAM per process >       1.00 MB

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

     Starting wfcs are   13 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.2

     total cpu time spent up to now is        1.1 secs

     End of band structure calculation

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

     highest occupied level (ev):     9.8892

     Writing output data file sic.save/

     --                                                                         

     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    =      20.0000  Ry
     charge density cut-off    =      80.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PZ ( 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 =  137.4891  (   1687 G-vectors)     FFT grid: ( 18, 18, 18)
     number of k points=   112

     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 =   0.8000
     PHONON       :    12.34s CPU         7.04s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     7.5 secs   av.it.:   6.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.922E-04

      iter #   2 total cpu time :     7.9 secs   av.it.:   7.4
      thresh= 3.150E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.658E-03

      iter #   3 total cpu time :     8.3 secs   av.it.:   6.5
      thresh= 6.048E-03 alpha_mix =  0.700 |ddv_scf|^2 =  7.261E-07

      iter #   4 total cpu time :     8.6 secs   av.it.:   7.8
      thresh= 8.521E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.720E-08

      iter #   5 total cpu time :     9.0 secs   av.it.:   7.6
      thresh= 2.392E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.748E-10

      iter #   6 total cpu time :     9.4 secs   av.it.:   7.9
      thresh= 1.658E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.697E-10

      iter #   7 total cpu time :     9.7 secs   av.it.:   6.7
      thresh= 1.923E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.727E-11

      iter #   8 total cpu time :    10.1 secs   av.it.:   7.0
      thresh= 6.875E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.788E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    10.4 secs   av.it.:   6.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.078E-03

      iter #   2 total cpu time :    10.8 secs   av.it.:   7.4
      thresh= 4.559E-03 alpha_mix =  0.700 |ddv_scf|^2 =  7.899E-03

      iter #   3 total cpu time :    11.1 secs   av.it.:   6.3
      thresh= 8.888E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.814E-06

      iter #   4 total cpu time :    11.5 secs   av.it.:   7.7
      thresh= 1.953E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.407E-07

      iter #   5 total cpu time :    11.8 secs   av.it.:   7.2
      thresh= 4.907E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.521E-09

      iter #   6 total cpu time :    12.2 secs   av.it.:   7.5
      thresh= 3.900E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.205E-10

      iter #   7 total cpu time :    12.5 secs   av.it.:   6.6
      thresh= 2.864E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.169E-11

      iter #   8 total cpu time :    12.9 secs   av.it.:   7.4
      thresh= 3.419E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.053E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 modes #   3  4

     Self-consistent Calculation

      iter #   1 total cpu time :    13.5 secs   av.it.:   6.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.842E-06

      iter #   2 total cpu time :    14.3 secs   av.it.:   9.1
      thresh= 2.201E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.075E-07

      iter #   3 total cpu time :    15.1 secs   av.it.:   8.9
      thresh= 3.279E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.460E-10

      iter #   4 total cpu time :    15.9 secs   av.it.:   8.4
      thresh= 1.208E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.903E-12

      iter #   5 total cpu time :    16.7 secs   av.it.:   8.3
      thresh= 1.976E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.533E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 modes #   5  6

     Self-consistent Calculation

      iter #   1 total cpu time :    17.2 secs   av.it.:   5.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.826E-07

      iter #   2 total cpu time :    18.1 secs   av.it.:   8.8
      thresh= 6.185E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.097E-09

      iter #   3 total cpu time :    18.9 secs   av.it.:   8.7
      thresh= 8.425E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.478E-10

      iter #   4 total cpu time :    19.6 secs   av.it.:   8.2
      thresh= 1.574E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.440E-12

      iter #   5 total cpu time :    20.4 secs   av.it.:   7.9
      thresh= 2.905E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.933E-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) =       6.380476 [THz] =     212.829771 [cm-1]
     freq (    2) =       6.380476 [THz] =     212.829771 [cm-1]
     freq (    3) =      14.950567 [THz] =     498.697245 [cm-1]
     freq (    4) =      23.667146 [THz] =     789.451025 [cm-1]
     freq (    5) =      23.667146 [THz] =     789.451025 [cm-1]
     freq (    6) =      25.484269 [THz] =     850.063705 [cm-1]
 **************************************************************************

     Mode symmetry, C_3v (3m)   point group:

     freq (  1 -  2) =        212.8  [cm-1]   --> E    L_3           
     freq (  3 -  3) =        498.7  [cm-1]   --> A_1  L_1           
     freq (  4 -  5) =        789.5  [cm-1]   --> E    L_3           
     freq (  6 -  6) =        850.1  [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         187     187     85                 1687     1687     531


     Title: 
     --                                                                         


     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     =      20.0000  Ry
     charge density cutoff     =      80.0000  Ry
     Exchange-correlation      = PZ ( 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

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

     Dense  grid:     1687 G-vectors     FFT dimensions: (  18,  18,  18)

     Estimated max dynamical RAM per process >       1.00 MB

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

     Starting wfcs are   13 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.1

     total cpu time spent up to now is        2.6 secs

     End of band structure calculation

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

     highest occupied level (ev):     9.8892

     Writing output data file sic.save/

     --                                                                         

     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    =      20.0000  Ry
     charge density cut-off    =      80.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PZ ( 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 =  137.4891  (   1687 G-vectors)     FFT grid: ( 18, 18, 18)
     number of k points=   150

     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 =   0.8000
     PHONON       :    38.44s CPU        21.92s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    22.4 secs   av.it.:   6.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.169E-03

      iter #   2 total cpu time :    22.9 secs   av.it.:   7.6
      thresh= 3.419E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.464E-03

      iter #   3 total cpu time :    23.4 secs   av.it.:   6.6
      thresh= 5.886E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.311E-06

      iter #   4 total cpu time :    23.9 secs   av.it.:   7.8
      thresh= 1.820E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.079E-07

      iter #   5 total cpu time :    24.4 secs   av.it.:   7.3
      thresh= 4.560E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.232E-11

      iter #   6 total cpu time :    24.9 secs   av.it.:   7.7
      thresh= 8.504E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.112E-12

      iter #   7 total cpu time :    25.4 secs   av.it.:   7.5
      thresh= 2.261E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.769E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    25.8 secs   av.it.:   5.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.246E-04

      iter #   2 total cpu time :    26.3 secs   av.it.:   7.6
      thresh= 2.290E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.600E-03

      iter #   3 total cpu time :    26.7 secs   av.it.:   6.6
      thresh= 4.000E-03 alpha_mix =  0.700 |ddv_scf|^2 =  4.287E-07

      iter #   4 total cpu time :    27.2 secs   av.it.:   7.5
      thresh= 6.548E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.249E-08

      iter #   5 total cpu time :    27.7 secs   av.it.:   7.6
      thresh= 1.803E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.050E-10

      iter #   6 total cpu time :    28.2 secs   av.it.:   7.7
      thresh= 1.432E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.064E-12

      iter #   7 total cpu time :    28.7 secs   av.it.:   7.6
      thresh= 2.840E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.494E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    29.1 secs   av.it.:   5.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.898E-06

      iter #   2 total cpu time :    29.6 secs   av.it.:   7.9
      thresh= 2.213E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.946E-07

      iter #   3 total cpu time :    30.1 secs   av.it.:   7.8
      thresh= 5.428E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.396E-09

      iter #   4 total cpu time :    30.5 secs   av.it.:   7.5
      thresh= 3.736E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.217E-11

      iter #   5 total cpu time :    31.0 secs   av.it.:   7.5
      thresh= 3.489E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.882E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :    31.4 secs   av.it.:   5.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.356E-05

      iter #   2 total cpu time :    32.0 secs   av.it.:   8.0
      thresh= 5.793E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.221E-06

      iter #   3 total cpu time :    32.5 secs   av.it.:   7.8
      thresh= 1.490E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.235E-10

      iter #   4 total cpu time :    33.0 secs   av.it.:   7.9
      thresh= 2.870E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.848E-11

      iter #   5 total cpu time :    33.4 secs   av.it.:   7.4
      thresh= 5.337E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.854E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :    33.8 secs   av.it.:   5.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.356E-05

      iter #   2 total cpu time :    34.4 secs   av.it.:   8.1
      thresh= 5.793E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.221E-06

      iter #   3 total cpu time :    34.9 secs   av.it.:   7.7
      thresh= 1.490E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.232E-10

      iter #   4 total cpu time :    35.3 secs   av.it.:   7.9
      thresh= 2.869E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.848E-11

      iter #   5 total cpu time :    35.8 secs   av.it.:   7.4
      thresh= 5.337E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.853E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :    36.2 secs   av.it.:   5.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.899E-06

      iter #   2 total cpu time :    36.7 secs   av.it.:   8.0
      thresh= 2.213E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.947E-07

      iter #   3 total cpu time :    37.2 secs   av.it.:   7.8
      thresh= 5.428E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.396E-09

      iter #   4 total cpu time :    37.7 secs   av.it.:   7.4
      thresh= 3.736E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.216E-11

      iter #   5 total cpu time :    38.1 secs   av.it.:   7.5
      thresh= 3.487E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.872E-14

     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) =       9.015394 [THz] =     300.721184 [cm-1]
     freq (    2) =       9.015394 [THz] =     300.721184 [cm-1]
     freq (    3) =      15.019275 [THz] =     500.989097 [cm-1]
     freq (    4) =      23.163537 [THz] =     772.652426 [cm-1]
     freq (    5) =      23.163537 [THz] =     772.652426 [cm-1]
     freq (    6) =      25.566562 [THz] =     852.808696 [cm-1]
 **************************************************************************

     Mode symmetry, C_2v (mm2)  point group:

     freq (  1 -  1) =        300.7  [cm-1]   --> B_1  D_3  S_3      
     freq (  2 -  2) =        300.7  [cm-1]   --> B_2  D_4  S_4      
     freq (  3 -  3) =        501.0  [cm-1]   --> A_1  D_1  S_1      
     freq (  4 -  4) =        772.7  [cm-1]   --> B_1  D_3  S_3      
     freq (  5 -  5) =        772.7  [cm-1]   --> B_2  D_4  S_4      
     freq (  6 -  6) =        852.8  [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         187     187     85                 1687     1687     537


     Title: 
     --                                                                         


     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     =      20.0000  Ry
     charge density cutoff     =      80.0000  Ry
     Exchange-correlation      = PZ ( 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

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

     Dense  grid:     1687 G-vectors     FFT dimensions: (  18,  18,  18)

     Estimated max dynamical RAM per process >       1.00 MB

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

     Starting wfcs are   13 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.1

     total cpu time spent up to now is        5.1 secs

     End of band structure calculation

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

     highest occupied level (ev):     9.8892

     Writing output data file sic.save/

     --                                                                         

     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    =      20.0000  Ry
     charge density cut-off    =      80.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PZ ( 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 =  137.4891  (   1687 G-vectors)     FFT grid: ( 18, 18, 18)
     number of k points=   252

     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 =   0.8000
     PHONON       :  1m10.33s CPU     0m40.68s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    41.4 secs   av.it.:   5.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.031E-05

      iter #   2 total cpu time :    42.3 secs   av.it.:   8.3
      thresh= 8.385E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.825E-05

      iter #   3 total cpu time :    43.1 secs   av.it.:   7.7
      thresh= 8.262E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.655E-07

      iter #   4 total cpu time :    44.0 secs   av.it.:   7.7
      thresh= 9.303E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.818E-09

      iter #   5 total cpu time :    44.8 secs   av.it.:   7.9
      thresh= 9.390E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.726E-10

      iter #   6 total cpu time :    45.6 secs   av.it.:   7.8
      thresh= 3.119E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.948E-11

      iter #   7 total cpu time :    46.4 secs   av.it.:   7.8
      thresh= 6.284E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.681E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    47.2 secs   av.it.:   6.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.531E-04

      iter #   2 total cpu time :    48.0 secs   av.it.:   8.2
      thresh= 1.237E-03 alpha_mix =  0.700 |ddv_scf|^2 =  7.155E-05

      iter #   3 total cpu time :    48.8 secs   av.it.:   7.7
      thresh= 8.458E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.413E-06

      iter #   4 total cpu time :    49.6 secs   av.it.:   7.7
      thresh= 1.189E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.247E-08

      iter #   5 total cpu time :    50.4 secs   av.it.:   7.7
      thresh= 1.117E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.754E-10

      iter #   6 total cpu time :    51.3 secs   av.it.:   7.9
      thresh= 2.599E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.554E-11

      iter #   7 total cpu time :    52.1 secs   av.it.:   7.9
      thresh= 6.748E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.503E-12

      iter #   8 total cpu time :    52.9 secs   av.it.:   7.9
      thresh= 1.226E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.140E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    53.7 secs   av.it.:   6.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.383E-04

      iter #   2 total cpu time :    54.5 secs   av.it.:   8.1
      thresh= 1.544E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.885E-04

      iter #   3 total cpu time :    55.3 secs   av.it.:   7.5
      thresh= 1.373E-03 alpha_mix =  0.700 |ddv_scf|^2 =  9.973E-07

      iter #   4 total cpu time :    56.1 secs   av.it.:   7.8
      thresh= 9.986E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.693E-08

      iter #   5 total cpu time :    57.0 secs   av.it.:   7.6
      thresh= 1.922E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.896E-10

      iter #   6 total cpu time :    57.8 secs   av.it.:   7.9
      thresh= 1.974E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.701E-11

      iter #   7 total cpu time :    58.6 secs   av.it.:   7.8
      thresh= 4.125E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.008E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :    59.3 secs   av.it.:   5.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.985E-05

      iter #   2 total cpu time :    60.2 secs   av.it.:   8.3
      thresh= 8.358E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.860E-05

      iter #   3 total cpu time :    61.0 secs   av.it.:   7.7
      thresh= 8.282E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.499E-07

      iter #   4 total cpu time :    61.8 secs   av.it.:   7.7
      thresh= 9.219E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.458E-09

      iter #   5 total cpu time :    62.6 secs   av.it.:   7.9
      thresh= 9.725E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.437E-10

      iter #   6 total cpu time :    63.4 secs   av.it.:   7.8
      thresh= 3.072E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.069E-11

      iter #   7 total cpu time :    64.2 secs   av.it.:   7.8
      thresh= 6.379E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.349E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :    65.0 secs   av.it.:   5.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.903E-05

      iter #   2 total cpu time :    65.8 secs   av.it.:   8.1
      thresh= 5.388E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.555E-06

      iter #   3 total cpu time :    66.6 secs   av.it.:   7.9
      thresh= 1.247E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.150E-10

      iter #   4 total cpu time :    67.5 secs   av.it.:   7.9
      thresh= 2.855E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.686E-11

      iter #   5 total cpu time :    68.3 secs   av.it.:   7.4
      thresh= 5.183E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.438E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :    68.9 secs   av.it.:   5.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.716E-06

      iter #   2 total cpu time :    69.8 secs   av.it.:   8.0
      thresh= 1.928E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.803E-07

      iter #   3 total cpu time :    70.6 secs   av.it.:   7.9
      thresh= 4.246E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.305E-09

      iter #   4 total cpu time :    71.4 secs   av.it.:   7.4
      thresh= 3.613E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.422E-11

      iter #   5 total cpu time :    72.2 secs   av.it.:   7.4
      thresh= 3.771E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.999E-14

     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) =       9.295948 [THz] =     310.079442 [cm-1]
     freq (    2) =      13.214244 [THz] =     440.779728 [cm-1]
     freq (    3) =      16.102862 [THz] =     537.133652 [cm-1]
     freq (    4) =      21.501226 [THz] =     717.203704 [cm-1]
     freq (    5) =      22.794957 [THz] =     760.357910 [cm-1]
     freq (    6) =      25.060502 [THz] =     835.928382 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =        310.1  [cm-1]   --> A''                
     freq (  2 -  2) =        440.8  [cm-1]   --> A'                 
     freq (  3 -  3) =        537.1  [cm-1]   --> A'                 
     freq (  4 -  4) =        717.2  [cm-1]   --> A'                 
     freq (  5 -  5) =        760.4  [cm-1]   --> A''                
     freq (  6 -  6) =        835.9  [cm-1]   --> A'                 

     init_run     :      0.24s CPU      0.13s WALL (       3 calls)
     electrons    :      8.46s CPU      4.93s WALL (       3 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (       3 calls)
     potinit      :      0.00s CPU      0.00s WALL (       3 calls)
     hinit0       :      0.22s CPU      0.12s WALL (       3 calls)

     Called by electrons:
     c_bands      :      8.46s CPU      4.93s WALL (       3 calls)
     v_of_rho     :      0.01s CPU      0.00s WALL (       4 calls)

     Called by c_bands:
     init_us_2    :      0.95s CPU      0.53s WALL (   11714 calls)
     cegterg      :      6.52s CPU      3.78s WALL (     514 calls)

     Called by sum_band:

     Called by *egterg:
     h_psi        :     89.37s CPU     51.15s WALL (   95561 calls)
     g_psi        :      0.06s CPU      0.03s WALL (    5218 calls)
     cdiaghg      :      0.76s CPU      0.46s WALL (    5732 calls)

     Called by h_psi:
     h_psi:pot    :     88.68s CPU     50.79s WALL (   95561 calls)
     h_psi:calbec :      1.72s CPU      1.06s WALL (   95561 calls)
     vloc_psi     :     84.71s CPU     48.43s WALL (   95561 calls)
     add_vuspsi   :      1.34s CPU      0.75s WALL (   95561 calls)

     General routines
     calbec       :      2.64s CPU      1.56s WALL (  194206 calls)
     fft          :      0.06s CPU      0.04s WALL (     473 calls)
     ffts         :      0.31s CPU      0.16s WALL (    1842 calls)
     fftw         :     91.06s CPU     52.16s WALL (  864334 calls)
     davcio       :      0.52s CPU      0.34s WALL (   51453 calls)

     Parallel routines

     PHONON       :  2m 5.28s CPU     1m12.20s WALL

     INITIALIZATION: 
     phq_setup    :      0.03s CPU      0.01s WALL (       4 calls)
     phq_init     :      0.36s CPU      0.19s WALL (       4 calls)

     phq_init     :      0.36s CPU      0.19s WALL (       4 calls)
     init_vloc    :      0.01s CPU      0.00s WALL (       4 calls)
     init_us_1    :      0.11s CPU      0.08s WALL (       4 calls)

     DYNAMICAL MATRIX:
     dynmat0      :      0.15s CPU      0.08s WALL (       4 calls)
     phqscf       :    111.20s CPU     64.03s WALL (       4 calls)
     dynmatrix    :      0.00s CPU      0.00s WALL (       4 calls)

     phqscf       :    111.20s CPU     64.03s WALL (       4 calls)
     solve_linter :    110.88s CPU     63.83s WALL (      18 calls)
     drhodv       :      0.26s CPU      0.18s WALL (      18 calls)

     dynmat0      :      0.15s CPU      0.08s WALL (       4 calls)
     dynmat_us    :      0.14s CPU      0.07s WALL (       4 calls)
     d2ionq       :      0.01s CPU      0.01s WALL (       4 calls)

     dynmat_us    :      0.14s CPU      0.07s WALL (       4 calls)

     phqscf       :    111.20s CPU     64.03s WALL (       4 calls)
     solve_linter :    110.88s CPU     63.83s WALL (      18 calls)

     solve_linter :    110.88s CPU     63.83s WALL (      18 calls)
     dvqpsi_us    :      2.24s CPU      1.35s WALL (    1734 calls)
     ortho        :      0.29s CPU      0.15s WALL (   10200 calls)
     cgsolve      :     92.27s CPU     53.12s WALL (   10200 calls)
     incdrhoscf   :     10.16s CPU      5.96s WALL (   10152 calls)
     vpsifft      :      8.16s CPU      4.55s WALL (    8274 calls)
     dv_of_drho   :      0.07s CPU      0.05s WALL (     151 calls)
     mix_pot      :      0.05s CPU      0.04s WALL (     113 calls)
     psymdvscf    :      0.48s CPU      0.25s WALL (     108 calls)

     dvqpsi_us    :      2.24s CPU      1.35s WALL (    1734 calls)
     dvqpsi_us_on :      0.26s CPU      0.18s WALL (    1734 calls)

     cgsolve      :     92.27s CPU     53.12s WALL (   10200 calls)
     ch_psi       :     88.57s CPU     50.55s WALL (   89315 calls)

     ch_psi       :     88.57s CPU     50.55s WALL (   89315 calls)
     h_psi        :     89.37s CPU     51.15s WALL (   95561 calls)
     last         :      4.18s CPU      2.30s WALL (   89315 calls)

     h_psi        :     89.37s CPU     51.15s WALL (   95561 calls)
     add_vuspsi   :      1.34s CPU      0.75s WALL (   95561 calls)

     incdrhoscf   :     10.16s CPU      5.96s WALL (   10152 calls)


      General routines
     calbec       :      2.64s CPU      1.56s WALL (  194206 calls)
     fft          :      0.06s CPU      0.04s WALL (     473 calls)
     ffts         :      0.31s CPU      0.16s WALL (    1842 calls)
     fftw         :     91.06s CPU     52.16s WALL (  864334 calls)
     davcio       :      0.52s CPU      0.34s WALL (   51453 calls)
     write_rec    :      0.14s CPU      0.09s WALL (     131 calls)


     PHONON       :  2m 5.28s CPU     1m12.20s WALL


   This run was terminated on:  10:55:35  18Jun2018            

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