
     Program PHONON v.6.0 (svn rev. 13286) starts on  7Feb2017 at 14:36:30 

     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

     Parallel version (MPI), running on     4 processors
     path-images division:  nimage    =       2
     R & G space division:  proc/nbgrp/npool/nimage =       2


     Dynamical matrices for q-points given in input
     (  17q-points):
       N         xq(1)         xq(2)         xq(3) 
       1   0.000000000   0.000000000   0.000000000
       2   0.250000000   0.000000000   0.000000000
       3   0.500000000   0.000000000   0.000000000
       4   0.750000000   0.000000000   0.000000000
       5   1.000000000   0.000000000   0.000000000
       6   1.000000000   0.250000000   0.000000000
       7   1.000000000   0.500000000   0.000000000
       8   1.000000000   0.750000000   0.000000000
       9   1.000000000   1.000000000   0.000000000
      10   0.750000000   0.750000000   0.000000000
      11   0.500000000   0.500000000   0.000000000
      12   0.250000000   0.250000000   0.000000000
      13   0.000000000   0.000000000   0.000000000
      14   0.125000000   0.125000000   0.125000000
      15   0.250000000   0.250000000   0.250000000
      16   0.375000000   0.375000000   0.375000000
      17   0.500000000   0.500000000   0.500000000

     Reading data from directory:
     /home/pietro/espresso-svn/tempdir/al.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


     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          60      60     21                  434      434      90
     Max          61      61     22                  435      435      91
     Sum         121     121     43                  869      869     181


      Image parallelization. There are  2 images and    37 representations
      The estimated total work is   480 self-consistent (scf) runs
      I am image number     0 and my work is about  244 scf runs. I calculate: 
      q point number     1, representations:
       0 1
      q point number     2, representations:
       0 1 2
      q point number     3, representations:
       0 1 2
      q point number     4, representations:
       0 1 2
      q point number     5, representations:
       0 1 2
      q point number     6, representations:
       0 1 2 3
      q point number     7, representations:
       0 1 2
      q point number     8, representations:
       0 1 2 3
      q point number     9, representations:
       0 1 2
      q point number    10, representations:
       0 1

     Calculation of q =    0.0000000   0.0000000   0.0000000

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  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     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000   0.0000000 )

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


     G cutoff =   85.4897  (    435 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=    29  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, O_h (m-3m)  point group:


     Atomic displacements:
     There are   1 irreducible representations

     Representation     1      3 modes -T_1u G_15  G_4-  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     0.30s CPU         0.32s WALL



     Representation #  1 modes #   1  2  3

     Self-consistent Calculation

     Pert. #  1: Fermi energy shift (Ry) =    -8.2718E-24     1.2539E-37
     Pert. #  2: Fermi energy shift (Ry) =     5.2388E-24     1.0971E-37
     Pert. #  3: Fermi energy shift (Ry) =     2.6194E-24    -4.3885E-37

      iter #   1 total cpu time :     0.4 secs   av.it.:   3.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.257E-08

     Pert. #  1: Fermi energy shift (Ry) =    -1.6544E-24     3.6734E-40
     Pert. #  2: Fermi energy shift (Ry) =     4.6874E-24    -9.1835E-40
     Pert. #  3: Fermi energy shift (Ry) =    -4.1359E-24     6.1224E-40

      iter #   2 total cpu time :     0.5 secs   av.it.:   5.5
      thresh= 1.121E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.314E-09

     Pert. #  1: Fermi energy shift (Ry) =    -3.3087E-24     5.8162E-40
     Pert. #  2: Fermi energy shift (Ry) =     4.1359E-24     3.6734E-40
     Pert. #  3: Fermi energy shift (Ry) =    -6.3417E-24     5.5101E-40

      iter #   3 total cpu time :     0.6 secs   av.it.:   5.3
      thresh= 3.625E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.570E-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) =       0.171792 [THz] =       5.730349 [cm-1]
     freq (    2) =       0.171792 [THz] =       5.730349 [cm-1]
     freq (    3) =       0.171792 [THz] =       5.730349 [cm-1]
 **************************************************************************

     Mode symmetry, O_h (m-3m)  point group:

     freq (  1 -  3) =          5.7  [cm-1]   --> T_1u G_15  G_4- I  

     Calculation of q =    0.2500000   0.0000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          60      60     27                  434      434     129
     Max          61      61     28                  435      435     130
     Sum         121     121     55                  869      869     259



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  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 Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.22MB

     Estimated total allocated dynamical RAM >       0.43MB

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/al.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.3

     total cpu time spent up to now is        1.2 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file al.save

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  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     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.2500000   0.0000000   0.0000000 )

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


     G cutoff =   85.4897  (    435 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_4v (4mm)  point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  G_1 D_1  To be done

     Representation     2      2 modes -E    G_5 D_5  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     1.99s CPU         2.11s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     2.2 secs   av.it.:   4.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.161E-01

      iter #   2 total cpu time :     2.3 secs   av.it.:   5.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.508E+02

      iter #   3 total cpu time :     2.4 secs   av.it.:   5.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.040E-03

      iter #   4 total cpu time :     2.4 secs   av.it.:   2.3
      thresh= 3.224E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.618E-09

      iter #   5 total cpu time :     2.5 secs   av.it.:   6.0
      thresh= 4.022E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.313E-10

      iter #   6 total cpu time :     2.6 secs   av.it.:   4.7
      thresh= 2.704E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.981E-08

      iter #   7 total cpu time :     2.7 secs   av.it.:   2.2
      thresh= 1.995E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.187E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :     2.8 secs   av.it.:   3.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.756E-08

      iter #   2 total cpu time :     3.0 secs   av.it.:   5.8
      thresh= 1.938E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.112E-09

      iter #   3 total cpu time :     3.2 secs   av.it.:   5.6
      thresh= 5.578E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.518E-11

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    6
     List of q in the star:
          1   0.250000000   0.000000000   0.000000000
          2   0.000000000   0.000000000  -0.250000000
          3  -0.250000000   0.000000000   0.000000000
          4   0.000000000  -0.250000000   0.000000000
          5   0.000000000   0.250000000   0.000000000
          6   0.000000000   0.000000000   0.250000000

     Diagonalizing the dynamical matrix

     q = (    0.250000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       2.295395 [THz] =      76.566129 [cm-1]
     freq (    2) =       2.295395 [THz] =      76.566129 [cm-1]
     freq (    3) =       4.004705 [THz] =     133.582571 [cm-1]
 **************************************************************************

     Mode symmetry, C_4v (4mm)  point group:

     freq (  1 -  2) =         76.6  [cm-1]   --> E    G_5 D_5       
     freq (  3 -  3) =        133.6  [cm-1]   --> A_1  G_1 D_1       

     Calculation of q =    0.5000000   0.0000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          60      60     27                  434      434     129
     Max          61      61     28                  435      435     130
     Sum         121     121     55                  869      869     259



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  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 Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.22MB

     Estimated total allocated dynamical RAM >       0.43MB

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/al.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.5

     total cpu time spent up to now is        2.7 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file al.save

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  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     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   0.0000000   0.0000000 )

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


     G cutoff =   85.4897  (    435 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_4v (4mm)  point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  G_1 D_1  To be done

     Representation     2      2 modes -E    G_5 D_5  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     4.34s CPU         4.72s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     4.8 secs   av.it.:   3.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.373E-03

      iter #   2 total cpu time :     4.9 secs   av.it.:   4.5
      thresh= 9.151E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.998E-01

      iter #   3 total cpu time :     5.0 secs   av.it.:   4.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.885E-08

      iter #   4 total cpu time :     5.1 secs   av.it.:   5.5
      thresh= 2.426E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.249E-09

      iter #   5 total cpu time :     5.1 secs   av.it.:   4.9
      thresh= 4.743E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.779E-10

      iter #   6 total cpu time :     5.2 secs   av.it.:   4.3
      thresh= 1.334E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.222E-12

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :     5.4 secs   av.it.:   3.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.924E-08

      iter #   2 total cpu time :     5.6 secs   av.it.:   6.0
      thresh= 2.987E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.125E-09

      iter #   3 total cpu time :     5.8 secs   av.it.:   5.5
      thresh= 5.590E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.744E-10

      iter #   4 total cpu time :     5.9 secs   av.it.:   5.3
      thresh= 1.320E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.784E-14

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    6
     List of q in the star:
          1   0.500000000   0.000000000   0.000000000
          2   0.000000000   0.000000000  -0.500000000
          3  -0.500000000   0.000000000   0.000000000
          4   0.000000000  -0.500000000   0.000000000
          5   0.000000000   0.500000000   0.000000000
          6   0.000000000   0.000000000   0.500000000

     Diagonalizing the dynamical matrix

     q = (    0.500000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       4.200425 [THz] =     140.111088 [cm-1]
     freq (    2) =       4.200425 [THz] =     140.111088 [cm-1]
     freq (    3) =       6.478473 [THz] =     216.098606 [cm-1]
 **************************************************************************

     Mode symmetry, C_4v (4mm)  point group:

     freq (  1 -  2) =        140.1  [cm-1]   --> E    G_5 D_5       
     freq (  3 -  3) =        216.1  [cm-1]   --> A_1  G_1 D_1       

     Calculation of q =    0.7500000   0.0000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          60      60     27                  434      434     141
     Max          61      61     28                  435      435     142
     Sum         121     121     55                  869      869     283



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  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 Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.22MB

     Estimated total allocated dynamical RAM >       0.43MB

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/al.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.5

     total cpu time spent up to now is        4.1 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file al.save

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  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     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.7500000   0.0000000   0.0000000 )

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


     G cutoff =   85.4897  (    435 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_4v (4mm)  point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  G_1 D_1  To be done

     Representation     2      2 modes -E    G_5 D_5  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     6.80s CPU         7.45s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     7.5 secs   av.it.:   3.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.116E-04

      iter #   2 total cpu time :     7.6 secs   av.it.:   4.9
      thresh= 2.029E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.169E-03

      iter #   3 total cpu time :     7.7 secs   av.it.:   4.2
      thresh= 3.419E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.792E-08

      iter #   4 total cpu time :     7.8 secs   av.it.:   5.6
      thresh= 1.947E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.369E-09

      iter #   5 total cpu time :     7.9 secs   av.it.:   5.1
      thresh= 3.700E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.800E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :     8.1 secs   av.it.:   3.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.058E-07

      iter #   2 total cpu time :     8.3 secs   av.it.:   6.0
      thresh= 4.537E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.203E-09

      iter #   3 total cpu time :     8.4 secs   av.it.:   5.4
      thresh= 5.660E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.160E-10

      iter #   4 total cpu time :     8.6 secs   av.it.:   5.4
      thresh= 1.778E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.258E-14

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    6
     List of q in the star:
          1   0.750000000   0.000000000   0.000000000
          2   0.000000000   0.000000000  -0.750000000
          3  -0.750000000   0.000000000   0.000000000
          4   0.000000000  -0.750000000   0.000000000
          5   0.000000000   0.750000000   0.000000000
          6   0.000000000   0.000000000   0.750000000

     Diagonalizing the dynamical matrix

     q = (    0.750000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       5.476312 [THz] =     182.670089 [cm-1]
     freq (    2) =       5.476312 [THz] =     182.670089 [cm-1]
     freq (    3) =       8.602178 [THz] =     286.937782 [cm-1]
 **************************************************************************

     Mode symmetry, C_4v (4mm)  point group:

     freq (  1 -  2) =        182.7  [cm-1]   --> E    G_5 D_5       
     freq (  3 -  3) =        286.9  [cm-1]   --> A_1  G_1 D_1       

     Calculation of q =    1.0000000   0.0000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          60      60     30                  434      434     165
     Max          61      61     31                  435      435     166
     Sum         121     121     61                  869      869     331



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  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 Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   118  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.22MB

     Estimated total allocated dynamical RAM >       0.43MB

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/al.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.4

     total cpu time spent up to now is        5.2 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file al.save

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  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     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   0.0000000   0.0000000 )

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


     G cutoff =   85.4897  (    435 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   118  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, D_4h(4/mmm) point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_2u X_4' M_4'  To be done

     Representation     2      2 modes -E_u  X_5' M_5'  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     8.68s CPU         9.53s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     9.6 secs   av.it.:   3.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.091E-05

      iter #   2 total cpu time :     9.6 secs   av.it.:   5.1
      thresh= 7.804E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.345E-05

      iter #   3 total cpu time :     9.7 secs   av.it.:   4.9
      thresh= 4.843E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.559E-09

      iter #   4 total cpu time :     9.7 secs   av.it.:   5.1
      thresh= 6.752E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.523E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :     9.9 secs   av.it.:   3.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.777E-07

      iter #   2 total cpu time :    10.0 secs   av.it.:   5.9
      thresh= 5.269E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.915E-09

      iter #   3 total cpu time :    10.1 secs   av.it.:   5.6
      thresh= 6.257E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.695E-10

      iter #   4 total cpu time :    10.2 secs   av.it.:   5.3
      thresh= 1.922E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.621E-14

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    3
     List of q in the star:
          1   1.000000000   0.000000000   0.000000000
          2   0.000000000   1.000000000   0.000000000
          3   0.000000000   0.000000000  -1.000000000

     Diagonalizing the dynamical matrix

     q = (    1.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       6.062755 [THz] =     202.231743 [cm-1]
     freq (    2) =       6.062755 [THz] =     202.231743 [cm-1]
     freq (    3) =       9.881079 [THz] =     329.597334 [cm-1]
 **************************************************************************

     Mode symmetry, D_4h(4/mmm) point group:

     freq (  1 -  2) =        202.2  [cm-1]   --> E_u  X_5' M_5'     
     freq (  3 -  3) =        329.6  [cm-1]   --> A_2u X_4' M_4'     

     Calculation of q =    1.0000000   0.2500000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          60      60     30                  434      434     165
     Max          61      61     31                  435      435     166
     Sum         121     121     61                  869      869     331



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  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 Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.22MB

     Estimated total allocated dynamical RAM >       0.43MB

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/al.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.2

     total cpu time spent up to now is        7.4 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file al.save

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  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     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   0.2500000   0.0000000 )

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


     G cutoff =   85.4897  (    435 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_2v (mm2)  point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A_1  D_1  S_1  To be done

     Representation     2      1 modes -B_1  D_3  S_3  To be done

     Representation     3      1 modes -B_2  D_4  S_4  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    11.75s CPU        12.82s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    13.0 secs   av.it.:   3.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.672E-06

      iter #   2 total cpu time :    13.2 secs   av.it.:   5.6
      thresh= 2.161E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.620E-07

      iter #   3 total cpu time :    13.3 secs   av.it.:   5.4
      thresh= 9.284E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.647E-08

      iter #   4 total cpu time :    13.5 secs   av.it.:   5.4
      thresh= 1.283E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.309E-10

      iter #   5 total cpu time :    13.6 secs   av.it.:   5.3
      thresh= 2.512E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.005E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    13.8 secs   av.it.:   3.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.976E-05

      iter #   2 total cpu time :    14.0 secs   av.it.:   5.2
      thresh= 7.054E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.931E-05

      iter #   3 total cpu time :    14.2 secs   av.it.:   5.0
      thresh= 4.394E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.531E-09

      iter #   4 total cpu time :    14.3 secs   av.it.:   5.2
      thresh= 6.731E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.994E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    14.5 secs   av.it.:   3.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.954E-06

      iter #   2 total cpu time :    14.7 secs   av.it.:   5.3
      thresh= 1.989E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.065E-07

      iter #   3 total cpu time :    14.8 secs   av.it.:   5.2
      thresh= 4.544E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.498E-09

      iter #   4 total cpu time :    15.0 secs   av.it.:   5.2
      thresh= 4.998E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.269E-12

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   12
     List of q in the star:
          1   1.000000000   0.250000000   0.000000000
          2   1.000000000  -0.250000000   0.000000000
          3   1.000000000   0.000000000   0.250000000
          4   1.000000000   0.000000000  -0.250000000
          5   0.250000000   1.000000000   0.000000000
          6  -0.250000000   0.000000000  -1.000000000
          7   0.250000000   0.000000000  -1.000000000
          8   0.000000000  -1.000000000  -0.250000000
          9   0.000000000  -1.000000000   0.250000000
         10   0.000000000  -0.250000000   1.000000000
         11   0.000000000   0.250000000   1.000000000
         12  -0.250000000  -1.000000000   0.000000000

     Diagonalizing the dynamical matrix

     q = (    1.000000000   0.250000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       6.481377 [THz] =     216.195467 [cm-1]
     freq (    2) =       6.670031 [THz] =     222.488274 [cm-1]
     freq (    3) =       8.841775 [THz] =     294.929884 [cm-1]
 **************************************************************************

     Mode symmetry, C_2v (mm2)  point group:

     freq (  1 -  1) =        216.2  [cm-1]   --> A_1  D_1  S_1      
     freq (  2 -  2) =        222.5  [cm-1]   --> B_2  D_4  S_4      
     freq (  3 -  3) =        294.9  [cm-1]   --> B_1  D_3  S_3      

     Calculation of q =    1.0000000   0.5000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          60      60     30                  434      434     165
     Max          61      61     31                  435      435     166
     Sum         121     121     61                  869      869     331



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  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 Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   174  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.22MB

     Estimated total allocated dynamical RAM >       0.43MB

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/al.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.3

     total cpu time spent up to now is        9.1 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file al.save

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  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     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   0.5000000   0.0000000 )

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


     G cutoff =   85.4897  (    435 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   174  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, D_2d (-42m) point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -B_2  X_3  W_2  To be done

     Representation     2      2 modes -E    X_5  W_3  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    15.08s CPU        16.49s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    16.6 secs   av.it.:   3.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.362E-06

      iter #   2 total cpu time :    16.7 secs   av.it.:   5.5
      thresh= 2.892E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.288E-06

      iter #   3 total cpu time :    16.8 secs   av.it.:   5.4
      thresh= 1.135E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.421E-09

      iter #   4 total cpu time :    16.9 secs   av.it.:   5.3
      thresh= 5.849E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.830E-12

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    17.0 secs   av.it.:   3.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.832E-06

      iter #   2 total cpu time :    17.2 secs   av.it.:   6.0
      thresh= 2.198E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.026E-06

      iter #   3 total cpu time :    17.4 secs   av.it.:   5.8
      thresh= 1.013E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.296E-10

      iter #   4 total cpu time :    17.6 secs   av.it.:   5.7
      thresh= 3.049E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.360E-12

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    6
     List of q in the star:
          1   1.000000000   0.500000000   0.000000000
          2  -1.000000000  -0.500000000   0.000000000
          3  -1.000000000   0.000000000   0.500000000
          4  -1.000000000   0.000000000  -0.500000000
          5   0.500000000   1.000000000   0.000000000
          6   0.500000000   0.000000000  -1.000000000

     Diagonalizing the dynamical matrix

     q = (    1.000000000   0.500000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       6.453909 [THz] =     215.279215 [cm-1]
     freq (    2) =       7.608237 [THz] =     253.783484 [cm-1]
     freq (    3) =       7.608237 [THz] =     253.783484 [cm-1]
 **************************************************************************

     Mode symmetry, D_2d (-42m) point group:

     freq (  1 -  1) =        215.3  [cm-1]   --> B_2  X_3  W_2      
     freq (  2 -  3) =        253.8  [cm-1]   --> E    X_5  W_3      

     Calculation of q =    1.0000000   0.7500000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          60      60     30                  434      434     165
     Max          61      61     31                  435      435     166
     Sum         121     121     61                  869      869     331



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  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 Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.22MB

     Estimated total allocated dynamical RAM >       0.43MB

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/al.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.2

     total cpu time spent up to now is       11.6 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file al.save

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  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     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   0.7500000   0.0000000 )

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


     G cutoff =   85.4897  (    435 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_2v (mm2)  point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A_1  D_1  S_1  To be done

     Representation     2      1 modes -B_1  D_3  S_3  To be done

     Representation     3      1 modes -B_2  D_4  S_4  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    18.69s CPU        20.35s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    20.5 secs   av.it.:   3.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.672E-06

      iter #   2 total cpu time :    20.7 secs   av.it.:   5.6
      thresh= 2.162E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.622E-07

      iter #   3 total cpu time :    20.8 secs   av.it.:   5.4
      thresh= 9.286E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.646E-08

      iter #   4 total cpu time :    21.0 secs   av.it.:   5.4
      thresh= 1.283E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.309E-10

      iter #   5 total cpu time :    21.2 secs   av.it.:   5.3
      thresh= 2.512E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.984E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    21.3 secs   av.it.:   3.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.954E-06

      iter #   2 total cpu time :    21.5 secs   av.it.:   5.3
      thresh= 1.989E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.065E-07

      iter #   3 total cpu time :    21.7 secs   av.it.:   5.2
      thresh= 4.545E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.498E-09

      iter #   4 total cpu time :    21.8 secs   av.it.:   5.2
      thresh= 4.998E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.275E-12

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    22.0 secs   av.it.:   3.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.976E-05

      iter #   2 total cpu time :    22.2 secs   av.it.:   5.2
      thresh= 7.054E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.931E-05

      iter #   3 total cpu time :    22.3 secs   av.it.:   5.0
      thresh= 4.394E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.530E-09

      iter #   4 total cpu time :    22.5 secs   av.it.:   5.2
      thresh= 6.730E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.989E-11

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   12
     List of q in the star:
          1   1.000000000   0.750000000   0.000000000
          2   0.000000000  -0.750000000   1.000000000
          3  -1.000000000  -0.750000000   0.000000000
          4  -1.000000000   0.000000000   0.750000000
          5  -1.000000000   0.000000000  -0.750000000
          6   0.750000000   1.000000000   0.000000000
          7  -0.750000000   0.000000000  -1.000000000
          8   0.750000000   0.000000000  -1.000000000
          9   0.000000000  -1.000000000  -0.750000000
         10   0.000000000  -1.000000000   0.750000000
         11   0.000000000   0.750000000   1.000000000
         12  -0.750000000  -1.000000000   0.000000000

     Diagonalizing the dynamical matrix

     q = (    1.000000000   0.750000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       6.481362 [THz] =     216.194975 [cm-1]
     freq (    2) =       6.670012 [THz] =     222.487636 [cm-1]
     freq (    3) =       8.841733 [THz] =     294.928453 [cm-1]
 **************************************************************************

     Mode symmetry, C_2v (mm2)  point group:

     freq (  1 -  1) =        216.2  [cm-1]   --> A_1  D_1  S_1      
     freq (  2 -  2) =        222.5  [cm-1]   --> B_1  D_3  S_3      
     freq (  3 -  3) =        294.9  [cm-1]   --> B_2  D_4  S_4      

     Calculation of q =    1.0000000   1.0000000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          60      60     30                  434      434     165
     Max          61      61     31                  435      435     166
     Sum         121     121     61                  869      869     331



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  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 Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   118  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.22MB

     Estimated total allocated dynamical RAM >       0.43MB

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/al.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.1

     total cpu time spent up to now is       12.9 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file al.save

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  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     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   1.0000000   0.0000000 )

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


     G cutoff =   85.4897  (    435 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   118  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, D_4h(4/mmm) point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_2u X_4' M_4'  To be done

     Representation     2      2 modes -E_u  X_5' M_5'  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :    21.56s CPU        23.54s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    23.6 secs   av.it.:   3.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.091E-05

      iter #   2 total cpu time :    23.7 secs   av.it.:   5.1
      thresh= 7.804E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.345E-05

      iter #   3 total cpu time :    23.7 secs   av.it.:   4.9
      thresh= 4.843E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.559E-09

      iter #   4 total cpu time :    23.8 secs   av.it.:   5.1
      thresh= 6.752E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.523E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    23.9 secs   av.it.:   3.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.775E-07

      iter #   2 total cpu time :    24.1 secs   av.it.:   5.9
      thresh= 5.268E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.908E-09

      iter #   3 total cpu time :    24.2 secs   av.it.:   5.6
      thresh= 6.251E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.692E-10

      iter #   4 total cpu time :    24.3 secs   av.it.:   5.4
      thresh= 1.921E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.671E-14

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    3
     List of q in the star:
          1   1.000000000   1.000000000   0.000000000
          2   0.000000000  -1.000000000  -1.000000000
          3  -1.000000000   0.000000000  -1.000000000

     Diagonalizing the dynamical matrix

     q = (    1.000000000   1.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       6.062728 [THz] =     202.230827 [cm-1]
     freq (    2) =       6.062728 [THz] =     202.230827 [cm-1]
     freq (    3) =       9.881073 [THz] =     329.597120 [cm-1]
 **************************************************************************

     Mode symmetry, D_4h(4/mmm) point group:

     freq (  1 -  2) =        202.2  [cm-1]   --> E_u  X_5' M_5'     
     freq (  3 -  3) =        329.6  [cm-1]   --> A_2u X_4' M_4'     

     Calculation of q =    0.7500000   0.7500000   0.0000000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          60      60     30                  434      434     165
     Max          61      61     31                  435      435     166
     Sum         121     121     61                  869      869     331



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   7.500000  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 Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.22MB

     Estimated total allocated dynamical RAM >       0.43MB

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/_ph0/al.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.4

     total cpu time spent up to now is       15.3 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file al.save

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  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     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.7500000   0.7500000   0.0000000 )

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


     G cutoff =   85.4897  (    435 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_2v (mm2)  point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A_1  D_1  S_1  To be done

     Representation     2      1 modes -B_1  D_3  S_3  Not done in this run

     Representation     3      1 modes -B_2  D_4  S_4  Not done in this run

     Compute atoms:     1,



     Alpha used in Ewald sum =   0.7000
     PHONON       :    24.80s CPU        27.01s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    27.2 secs   av.it.:   4.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.094E-05

      iter #   2 total cpu time :    27.3 secs   av.it.:   5.5
      thresh= 4.576E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.968E-06

      iter #   3 total cpu time :    27.5 secs   av.it.:   5.3
      thresh= 2.229E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.982E-09

      iter #   4 total cpu time :    27.6 secs   av.it.:   5.7
      thresh= 7.058E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.542E-10

      iter #   5 total cpu time :    27.8 secs   av.it.:   5.5
      thresh= 2.746E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.309E-12

     End of self-consistent calculation

     Convergence has been achieved 

     Not diagonalizing because representation    2 is not done

     init_run     :      0.08s CPU      0.09s WALL (       9 calls)
     electrons    :     11.57s CPU     12.29s WALL (       9 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (       9 calls)
     potinit      :      0.00s CPU      0.01s WALL (       9 calls)

     Called by electrons:
     c_bands      :     11.55s CPU     12.27s WALL (       9 calls)
     v_of_rho     :      0.00s CPU      0.00s WALL (      10 calls)

     Called by c_bands:
     init_us_2    :      0.30s CPU      0.28s WALL (   15973 calls)
     cegterg      :     10.75s CPU     11.40s WALL (    2081 calls)

     Called by sum_band:

     Called by *egterg:
     h_psi        :     10.32s CPU     11.71s WALL (   98185 calls)
     g_psi        :      0.07s CPU      0.07s WALL (   26566 calls)
     cdiaghg      :      3.53s CPU      3.81s WALL (   28560 calls)

     Called by h_psi:
     h_psi:pot    :     10.12s CPU     11.51s WALL (   98185 calls)
     h_psi:calbec :      0.59s CPU      0.65s WALL (   98185 calls)
     vloc_psi     :      9.02s CPU     10.24s WALL (   98185 calls)
     add_vuspsi   :      0.29s CPU      0.33s WALL (   98185 calls)

     General routines
     calbec       :      0.85s CPU      0.92s WALL (  187018 calls)
     fft          :      0.01s CPU      0.01s WALL (     406 calls)
     ffts         :      0.05s CPU      0.06s WALL (    2862 calls)
     fftw         :      9.22s CPU     10.51s WALL (  595044 calls)
     davcio       :      0.27s CPU      0.29s WALL (   60425 calls)

     Parallel routines
     fft_scatter  :      2.50s CPU      2.81s WALL (  598312 calls)

     PHONON       :    25.44s CPU        27.81s WALL

     INITIALIZATION: 
     phq_setup    :      0.02s CPU      0.03s WALL (      10 calls)
     phq_init     :      0.16s CPU      0.20s WALL (      10 calls)

     phq_init     :      0.16s CPU      0.20s WALL (      10 calls)
     init_vloc    :      0.01s CPU      0.00s WALL (      10 calls)
     init_us_1    :      0.02s CPU      0.03s WALL (      10 calls)

     DYNAMICAL MATRIX:
     dynmat0      :      0.10s CPU      0.11s WALL (      10 calls)
     phqscf       :      9.82s CPU     11.37s WALL (      10 calls)
     dynmatrix    :      0.02s CPU      0.02s WALL (      10 calls)

     phqscf       :      9.82s CPU     11.37s WALL (      10 calls)
     solve_linter :      9.61s CPU     11.14s WALL (      20 calls)
     drhodv       :      0.17s CPU      0.18s WALL (      20 calls)

     dynmat0      :      0.10s CPU      0.11s WALL (      10 calls)
     dynmat_us    :      0.09s CPU      0.10s WALL (      10 calls)
     d2ionq       :      0.00s CPU      0.00s WALL (      10 calls)

     dynmat_us    :      0.09s CPU      0.10s WALL (      10 calls)

     phqscf       :      9.82s CPU     11.37s WALL (      10 calls)
     solve_linter :      9.61s CPU     11.14s WALL (      20 calls)

     solve_linter :      9.61s CPU     11.14s WALL (      20 calls)
     dvqpsi_us    :      0.85s CPU      0.89s WALL (    2750 calls)
     ortho        :      0.13s CPU      0.16s WALL (   11805 calls)
     cgsolve      :      6.32s CPU      7.39s WALL (   11805 calls)
     incdrhoscf   :      0.82s CPU      0.95s WALL (   11805 calls)
     vpsifft      :      0.58s CPU      0.77s WALL (    9055 calls)
     dv_of_drho   :      0.01s CPU      0.01s WALL (     116 calls)
     mix_pot      :      0.04s CPU      0.02s WALL (      87 calls)
     ef_shift     :      0.00s CPU      0.00s WALL (       4 calls)
     localdos     :      0.00s CPU      0.00s WALL (       1 calls)
     psymdvscf    :      0.25s CPU      0.25s WALL (      87 calls)

     dvqpsi_us    :      0.85s CPU      0.89s WALL (    2750 calls)
     dvqpsi_us_on :      0.08s CPU      0.08s WALL (    2750 calls)

     cgsolve      :      6.32s CPU      7.39s WALL (   11805 calls)
     ch_psi       :      5.81s CPU      6.80s WALL (   67544 calls)

     ch_psi       :      5.81s CPU      6.80s WALL (   67544 calls)
     h_psi        :     10.32s CPU     11.71s WALL (   98185 calls)
     last         :      0.67s CPU      0.77s WALL (   67544 calls)

     h_psi        :     10.32s CPU     11.71s WALL (   98185 calls)
     add_vuspsi   :      0.29s CPU      0.33s WALL (   98185 calls)

     incdrhoscf   :      0.82s CPU      0.95s WALL (   11805 calls)


      General routines
     calbec       :      0.85s CPU      0.92s WALL (  187018 calls)
     fft          :      0.01s CPU      0.01s WALL (     406 calls)
     ffts         :      0.05s CPU      0.06s WALL (    2862 calls)
     fftw         :      9.22s CPU     10.51s WALL (  595044 calls)
     davcio       :      0.27s CPU      0.29s WALL (   60425 calls)
     write_rec    :      0.14s CPU      0.17s WALL (     107 calls)


     PHONON       :    25.44s CPU        27.81s WALL


   This run was terminated on:  14:36:58   7Feb2017            

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