Program PHONON v.6.7MaX starts on 28Dec2020 at  8:40: 1 

     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    32 processors

     MPI processes distributed on     2 nodes
     K-points division:     npool     =       2
     R & G space division:  proc/nbgrp/npool/nimage =      16
     Reading input from GaNWZPH.in

     Reading xml data from directory:

     /tmp/QE_temp/pwscf.save/
     file Ga.pbe-dn-kjpaw_psl.1.0.0.UPF: wavefunction(s)  4S renormalized
     file N.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s)  2S renormalized

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation= PBE
                           (   1   4   3   4   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          51      51     15                 1921     1921     295
     Max          52      52     16                 1926     1926     298
     Sum         823     823    241                30759    30759    4735
 

     Check: negative core charge=   -0.000003
     Reading collected, re-writing distributed wavefunctions


     Dynamical matrices for ( 4, 4, 2)  uniform grid of q-points
     (   8 q-points):
       N         xq(1)         xq(2)         xq(3) 
       1   0.000000000   0.000000000   0.000000000
       2   0.000000000   0.000000000  -0.306907091
       3   0.000000000   0.288675135   0.000000000
       4   0.000000000   0.288675135  -0.306907091
       5   0.000000000  -0.577350269   0.000000000
       6   0.000000000  -0.577350269  -0.306907091
       7   0.250000000   0.433012702   0.000000000
       8   0.250000000   0.433012702  -0.306907091

     Calculation of q =    0.0000000   0.0000000   0.0000000

     GaN Phonons                                                                

     bravais-lattice index     =            4
     lattice parameter (alat)  =       6.0842  a.u.
     unit-cell volume          =     317.7711 (a.u.)^3
     number of atoms/cell      =            4
     number of atomic types    =            2
     kinetic-energy cut-off    =      80.0000  Ry
     charge density cut-off    =     320.0000  Ry
     convergence threshold     =      1.0E-15
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PBE
                           (   1   4   3   4   0   0   0)


     celldm(1)=    6.08425  celldm(2)=    0.00000  celldm(3)=    1.62916
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0000  0.0000  0.0000 )  
               a(2) = ( -0.5000  0.8660  0.0000 )  
               a(3) = (  0.0000  0.0000  1.6292 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  1.0000  0.5774  0.0000 )  
               b(2) = (  0.0000  1.1547  0.0000 )  
               b(3) = (  0.0000  0.0000  0.6138 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Ga  69.7230   tau(    1) = (    0.50000    0.28867    0.81318  )
        2     Ga  69.7230   tau(    2) = (   -0.00000    0.57735    1.62775  )
        3     N   14.0067   tau(    3) = (    0.50000    0.28867    1.42691  )
        4     N   14.0067   tau(    4) = (   -0.00000    0.57735    0.61233  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000   0.0000000 )
 
      7 Sym.Ops. (with q -> -q+G )


     G cutoff =  300.0572  (   1926 G-vectors)     FFT grid: ( 36, 36, 60)
     number of k points=    20

     PseudoPot. # 1 for Ga read from file:
     /gpfs52/home/baerb/2NodeTesting/PPS/Ga.pbe-dn-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 7a184d99e7e6f3603e2601f38749ec10
     Pseudo is Projector augmented-wave + core cor, Zval = 13.0
     Generated using "atomic" code by A. Dal Corso  v.5.1.2
     Shape of augmentation charge: PSQ
     Using radial grid of 1205 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2
     Q(r) pseudized with 0 coefficients 


     PseudoPot. # 2 for N  read from file:
     /gpfs52/home/baerb/2NodeTesting/PPS/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 1ad3e75dbb83777f5d57060f48997d8a
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso  v.5.1.2
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_3v (3m)   point group:


     Electric field:
     Dielectric constant
     Born effective charges in two ways 


     Atomic displacements:
     There are    8 irreducible representations

     Representation     1      1 modes -  To be done

     Representation     2      1 modes -  To be done

     Representation     3      1 modes -  To be done

     Representation     4      1 modes -  To be done

     Representation     5      2 modes -  To be done

     Representation     6      2 modes -  To be done

     Representation     7      2 modes -  To be done

     Representation     8      2 modes -  To be done



     Alpha used in Ewald sum =   2.8000
     PHONON       :      1.33s CPU      1.99s WALL


     Electric Fields Calculation

      iter #   1 total cpu time :    10.0 secs   av.it.:   8.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.633E-08

      iter #   2 total cpu time :    13.7 secs   av.it.:  20.5
      thresh= 1.623E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.676E-09

      iter #   3 total cpu time :    17.2 secs   av.it.:  19.6
      thresh= 4.094E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.714E-10

      iter #   4 total cpu time :    20.9 secs   av.it.:  19.5
      thresh= 1.647E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.170E-10

      iter #   5 total cpu time :    24.5 secs   av.it.:  20.2
      thresh= 1.082E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.022E-13

      iter #   6 total cpu time :    29.0 secs   av.it.:  26.5
      thresh= 9.499E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.769E-13

      iter #   7 total cpu time :    33.4 secs   av.it.:  26.1
      thresh= 8.228E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.987E-13

      iter #   8 total cpu time :    38.3 secs   av.it.:  26.8
      thresh= 6.314E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.294E-13

      iter #   9 total cpu time :    43.1 secs   av.it.:  29.3
      thresh= 7.276E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.988E-15

      iter #  10 total cpu time :    47.7 secs   av.it.:  27.7
      thresh= 9.480E-09 alpha_mix =  0.700 |ddv_scf|^2 =  5.533E-15

      iter #  11 total cpu time :    52.0 secs   av.it.:  25.3
      thresh= 7.438E-09 alpha_mix =  0.700 |ddv_scf|^2 =  8.833E-15

      iter #  12 total cpu time :    56.4 secs   av.it.:  26.2
      thresh= 9.398E-09 alpha_mix =  0.700 |ddv_scf|^2 =  6.979E-15

      iter #  13 total cpu time :    61.0 secs   av.it.:  27.2
      thresh= 8.354E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.102E-16

     End of electric fields calculation

          Dielectric constant in cartesian axis 

          (       6.307153747      -0.000000000      -0.000000000 )
          (       0.000000000       6.307153747       0.000000000 )
          (       0.000000000       0.000000000       6.685902812 )

          Effective charges (d Force / dE) in cartesian axis

           atom      1   Ga 
      Ex  (        2.63530       -0.00000       -0.00000 )
      Ey  (       -0.00000        2.63530        0.00000 )
      Ez  (        0.00000        0.00000        2.78273 )
           atom      2   Ga 
      Ex  (        2.63634        0.00000        0.00000 )
      Ey  (        0.00000        2.63634        0.00000 )
      Ez  (        0.00000        0.00000        2.78462 )
           atom      3   N  
      Ex  (       -2.66612        0.00000        0.00000 )
      Ey  (        0.00000       -2.66612        0.00000 )
      Ez  (        0.00000       -0.00000       -2.84558 )
           atom      4   N  
      Ex  (       -2.66593        0.00000        0.00000 )
      Ey  (        0.00000       -2.66593        0.00000 )
      Ez  (        0.00000       -0.00000       -2.84525 )


     Representation #   1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    64.2 secs   av.it.:  12.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.019E-05

      iter #   2 total cpu time :    65.4 secs   av.it.:  17.1
      thresh= 7.758E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.394E-05

      iter #   3 total cpu time :    66.4 secs   av.it.:  16.1
      thresh= 6.629E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.961E-06

      iter #   4 total cpu time :    67.5 secs   av.it.:  15.8
      thresh= 2.442E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.982E-07

      iter #   5 total cpu time :    68.6 secs   av.it.:  16.8
      thresh= 7.058E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.095E-08

      iter #   6 total cpu time :    69.8 secs   av.it.:  18.7
      thresh= 2.664E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.313E-08

      iter #   7 total cpu time :    71.0 secs   av.it.:  19.9
      thresh= 1.146E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.509E-09

      iter #   8 total cpu time :    72.2 secs   av.it.:  19.1
      thresh= 3.885E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.073E-11

      iter #   9 total cpu time :    73.4 secs   av.it.:  18.9
      thresh= 4.554E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.026E-12

      iter #  10 total cpu time :    74.5 secs   av.it.:  17.9
      thresh= 1.424E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.746E-14

      iter #  11 total cpu time :    75.7 secs   av.it.:  19.1
      thresh= 2.783E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.817E-15

      iter #  12 total cpu time :    76.8 secs   av.it.:  17.6
      thresh= 6.940E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.461E-15

      iter #  13 total cpu time :    77.9 secs   av.it.:  16.5
      thresh= 4.961E-09 alpha_mix =  0.700 |ddv_scf|^2 =  9.523E-17

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #   2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    78.8 secs   av.it.:   8.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.356E-05

      iter #   2 total cpu time :    79.9 secs   av.it.:  16.9
      thresh= 3.683E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.229E-05

      iter #   3 total cpu time :    81.0 secs   av.it.:  15.7
      thresh= 3.505E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.572E-08

      iter #   4 total cpu time :    82.1 secs   av.it.:  18.3
      thresh= 2.928E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.670E-08

      iter #   5 total cpu time :    83.3 secs   av.it.:  15.0
      thresh= 2.161E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.605E-10

      iter #   6 total cpu time :    84.5 secs   av.it.:  19.6
      thresh= 2.368E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.071E-11

      iter #   7 total cpu time :    85.7 secs   av.it.:  19.8
      thresh= 3.272E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.938E-13

      iter #   8 total cpu time :    86.9 secs   av.it.:  19.4
      thresh= 7.706E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.828E-14

      iter #   9 total cpu time :    88.2 secs   av.it.:  19.3
      thresh= 1.352E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.308E-14

      iter #  10 total cpu time :    89.3 secs   av.it.:  17.8
      thresh= 1.144E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.768E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #   3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    90.2 secs   av.it.:   8.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.356E-05

      iter #   2 total cpu time :    91.4 secs   av.it.:  16.9
      thresh= 3.683E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.229E-05

      iter #   3 total cpu time :    92.4 secs   av.it.:  15.7
      thresh= 3.505E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.575E-08

      iter #   4 total cpu time :    93.9 secs   av.it.:  18.2
      thresh= 2.928E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.670E-08

      iter #   5 total cpu time :    94.9 secs   av.it.:  15.0
      thresh= 2.161E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.612E-10

      iter #   6 total cpu time :    96.2 secs   av.it.:  19.6
      thresh= 2.369E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.070E-11

      iter #   7 total cpu time :    97.4 secs   av.it.:  19.9
      thresh= 3.271E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.923E-13

      iter #   8 total cpu time :    98.9 secs   av.it.:  19.4
      thresh= 7.696E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.582E-14

      iter #   9 total cpu time :   100.0 secs   av.it.:  19.1
      thresh= 1.258E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.092E-14

      iter #  10 total cpu time :   101.2 secs   av.it.:  17.6
      thresh= 1.045E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.903E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #   4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :   102.2 secs   av.it.:  12.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.019E-05

      iter #   2 total cpu time :   103.4 secs   av.it.:  17.1
      thresh= 7.758E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.395E-05

      iter #   3 total cpu time :   104.5 secs   av.it.:  16.1
      thresh= 6.629E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.960E-06

      iter #   4 total cpu time :   105.5 secs   av.it.:  15.9
      thresh= 2.441E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.982E-07

      iter #   5 total cpu time :   106.6 secs   av.it.:  16.8
      thresh= 7.058E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.092E-08

      iter #   6 total cpu time :   107.8 secs   av.it.:  18.7
      thresh= 2.663E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.313E-08

      iter #   7 total cpu time :   109.0 secs   av.it.:  19.9
      thresh= 1.146E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.509E-09

      iter #   8 total cpu time :   110.2 secs   av.it.:  19.0
      thresh= 3.884E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.069E-11

      iter #   9 total cpu time :   111.4 secs   av.it.:  18.9
      thresh= 4.549E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.941E-12

      iter #  10 total cpu time :   112.6 secs   av.it.:  17.9
      thresh= 1.393E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.791E-14

      iter #  11 total cpu time :   113.9 secs   av.it.:  19.1
      thresh= 2.791E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.786E-15

      iter #  12 total cpu time :   115.1 secs   av.it.:  17.6
      thresh= 6.918E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.443E-15

      iter #  13 total cpu time :   116.2 secs   av.it.:  16.5
      thresh= 4.943E-09 alpha_mix =  0.700 |ddv_scf|^2 =  9.494E-17

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #   5 modes #   5   6

     Self-consistent Calculation

      iter #   1 total cpu time :   117.9 secs   av.it.:   8.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.227E-07

      iter #   2 total cpu time :   120.3 secs   av.it.:  18.3
      thresh= 5.680E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.380E-09

      iter #   3 total cpu time :   122.6 secs   av.it.:  18.5
      thresh= 6.618E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.291E-11

      iter #   4 total cpu time :   124.9 secs   av.it.:  17.8
      thresh= 6.550E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.201E-13

      iter #   5 total cpu time :   127.3 secs   av.it.:  17.5
      thresh= 8.486E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.705E-14

      iter #   6 total cpu time :   129.7 secs   av.it.:  18.5
      thresh= 1.645E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.804E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #   6 modes #   7   8

     Self-consistent Calculation

      iter #   1 total cpu time :   131.4 secs   av.it.:   8.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.226E-07

      iter #   2 total cpu time :   133.9 secs   av.it.:  18.5
      thresh= 5.680E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.378E-09

      iter #   3 total cpu time :   136.2 secs   av.it.:  18.6
      thresh= 6.617E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.291E-11

      iter #   4 total cpu time :   138.6 secs   av.it.:  17.8
      thresh= 6.551E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.201E-13

      iter #   5 total cpu time :   140.8 secs   av.it.:  17.5
      thresh= 8.486E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.704E-14

      iter #   6 total cpu time :   143.2 secs   av.it.:  18.5
      thresh= 1.644E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.804E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #   7 modes #   9  10

     Self-consistent Calculation

      iter #   1 total cpu time :   145.3 secs   av.it.:  12.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.331E-06

      iter #   2 total cpu time :   147.6 secs   av.it.:  18.8
      thresh= 1.825E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.312E-08

      iter #   3 total cpu time :   150.2 secs   av.it.:  21.1
      thresh= 2.512E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.166E-08

      iter #   4 total cpu time :   152.5 secs   av.it.:  19.4
      thresh= 1.472E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.112E-10

      iter #   5 total cpu time :   155.0 secs   av.it.:  19.3
      thresh= 1.054E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.959E-12

      iter #   6 total cpu time :   157.5 secs   av.it.:  20.8
      thresh= 2.227E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.785E-13

      iter #   7 total cpu time :   159.9 secs   av.it.:  19.8
      thresh= 6.152E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.937E-15

      iter #   8 total cpu time :   162.4 secs   av.it.:  20.8
      thresh= 5.419E-09 alpha_mix =  0.700 |ddv_scf|^2 =  7.196E-17

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #   8 modes #  11  12

     Self-consistent Calculation

      iter #   1 total cpu time :   164.6 secs   av.it.:  12.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.331E-06

      iter #   2 total cpu time :   166.9 secs   av.it.:  18.8
      thresh= 1.825E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.313E-08

      iter #   3 total cpu time :   169.4 secs   av.it.:  21.1
      thresh= 2.513E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.166E-08

      iter #   4 total cpu time :   171.8 secs   av.it.:  19.5
      thresh= 1.472E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.112E-10

      iter #   5 total cpu time :   174.2 secs   av.it.:  19.3
      thresh= 1.054E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.956E-12

      iter #   6 total cpu time :   176.7 secs   av.it.:  20.6
      thresh= 2.226E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.785E-13

      iter #   7 total cpu time :   179.1 secs   av.it.:  19.8
      thresh= 6.152E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.934E-15

      iter #   8 total cpu time :   181.6 secs   av.it.:  20.8
      thresh= 5.416E-09 alpha_mix =  0.700 |ddv_scf|^2 =  7.150E-17

     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 

          (       6.307153747      -0.000000000      -0.000000000 )
          (       0.000000000       6.307153747       0.000000000 )
          (       0.000000000       0.000000000       6.685902812 )

          Effective charges (d Force / dE) in cartesian axis

           atom      1   Ga 
      Ex  (        2.63530       -0.00000       -0.00000 )
      Ey  (       -0.00000        2.63530        0.00000 )
      Ez  (        0.00000        0.00000        2.78273 )
           atom      2   Ga 
      Ex  (        2.63634        0.00000        0.00000 )
      Ey  (        0.00000        2.63634        0.00000 )
      Ez  (        0.00000        0.00000        2.78462 )
           atom      3   N  
      Ex  (       -2.66612        0.00000        0.00000 )
      Ey  (        0.00000       -2.66612        0.00000 )
      Ez  (        0.00000       -0.00000       -2.84558 )
           atom      4   N  
      Ex  (       -2.66593        0.00000        0.00000 )
      Ey  (        0.00000       -2.66593        0.00000 )
      Ez  (        0.00000       -0.00000       -2.84525 )

          Effective charges (d P / du) in cartesian axis 

           atom      1   Ga 
      Px  (        2.63527        0.00000        0.00000 )
      Py  (        0.00000        2.63527        0.00000 )
      Pz  (        0.00000        0.00000        2.78317 )
           atom      2   Ga 
      Px  (        2.63636        0.00000        0.00000 )
      Py  (        0.00000        2.63636        0.00000 )
      Pz  (        0.00000        0.00000        2.78456 )
           atom      3   N  
      Px  (       -2.66636        0.00000        0.00000 )
      Py  (        0.00000       -2.66636       -0.00000 )
      Pz  (        0.00000        0.00000       -2.84583 )
           atom      4   N  
      Px  (       -2.66594        0.00000        0.00000 )
      Py  (        0.00000       -2.66594        0.00000 )
      Pz  (        0.00000       -0.00000       -2.84526 )

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       1.412453 [THz] =      47.114364 [cm-1]
     freq (    2) =       1.412453 [THz] =      47.114364 [cm-1]
     freq (    3) =       1.472558 [THz] =      49.119245 [cm-1]
     freq (    4) =       4.382467 [THz] =     146.183370 [cm-1]
     freq (    5) =       4.382467 [THz] =     146.183370 [cm-1]
     freq (    6) =       9.761775 [THz] =     325.617781 [cm-1]
     freq (    7) =      15.072774 [THz] =     502.773622 [cm-1]
     freq (    8) =      15.758619 [THz] =     525.650947 [cm-1]
     freq (    9) =      15.758619 [THz] =     525.650947 [cm-1]
     freq (   10) =      15.954298 [THz] =     532.178095 [cm-1]
     freq (   11) =      15.954298 [THz] =     532.178095 [cm-1]
     freq (   12) =      19.668082 [THz] =     656.056595 [cm-1]
 **************************************************************************

     Mode symmetry, C_3v (3m)   point group:

     freq (   1-   2) =         47.1  [cm-1]   --> E    L_3        I+R
     freq (   3-   3) =         49.1  [cm-1]   --> A_1  L_1        I+R
     freq (   4-   5) =        146.2  [cm-1]   --> E    L_3        I+R
     freq (   6-   6) =        325.6  [cm-1]   --> A_1  L_1        I+R
     freq (   7-   7) =        502.8  [cm-1]   --> A_1  L_1        I+R
     freq (   8-   9) =        525.7  [cm-1]   --> E    L_3        I+R
     freq (  10-  11) =        532.2  [cm-1]   --> E    L_3        I+R
     freq (  12-  12) =        656.1  [cm-1]   --> A_1  L_1        I+R

     Calculation of q =    0.0000000   0.0000000  -0.3069071

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

 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          51      51     15                 1921     1921     299
     Max          52      52     16                 1926     1926     303
     Sum         823     823    241                30759    30759    4795
 

     Title: 
     GaN Phonons                                                                


     bravais-lattice index     =            4
     lattice parameter (alat)  =       6.0842  a.u.
     unit-cell volume          =     317.7711 (a.u.)^3
     number of atoms/cell      =            4
     number of atomic types    =            2
     number of electrons       =        36.00
     number of Kohn-Sham states=           18
     kinetic-energy cutoff     =      80.0000  Ry
     charge density cutoff     =     320.0000  Ry
     Exchange-correlation= PBE
                           (   1   4   3   4   0   0   0)

     celldm(1)=   6.084248  celldm(2)=   0.000000  celldm(3)=   1.629158
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.000000   0.000000   0.000000 )  
               a(2) = (  -0.500000   0.866025   0.000000 )  
               a(3) = (   0.000000   0.000000   1.629158 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  1.000000  0.577350  0.000000 )  
               b(2) = (  0.000000  1.154701  0.000000 )  
               b(3) = (  0.000000  0.000000  0.613814 )  


     PseudoPot. # 1 for Ga read from file:
     /gpfs52/home/baerb/2NodeTesting/PPS/Ga.pbe-dn-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 7a184d99e7e6f3603e2601f38749ec10
     Pseudo is Projector augmented-wave + core cor, Zval = 13.0
     Generated using "atomic" code by A. Dal Corso  v.5.1.2
     Shape of augmentation charge: PSQ
     Using radial grid of 1205 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2
     Q(r) pseudized with 0 coefficients 


     PseudoPot. # 2 for N  read from file:
     /gpfs52/home/baerb/2NodeTesting/PPS/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 1ad3e75dbb83777f5d57060f48997d8a
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso  v.5.1.2
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Ga            13.00    69.72300     Ga( 1.00)
        N              5.00    14.00674     N ( 1.00)

      6 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Ga  tau(   1) = (   0.5000005   0.2886748   0.8131838  )
         2           Ga  tau(   2) = (  -0.0000005   0.5773506   1.6277529  )
         3           N   tau(   3) = (   0.5000005   0.2886748   1.4269116  )
         4           N   tau(   4) = (  -0.0000005   0.5773506   0.6123317  )

     number of k points=    40
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0136054
        k(    2) = (   0.0000000   0.0000000  -0.3069071), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.2046047), wk =   0.0272109
        k(    4) = (   0.0000000   0.0000000  -0.1023024), wk =   0.0000000
        k(    5) = (   0.0000000   0.1649572   0.0000000), wk =   0.0816327
        k(    6) = (   0.0000000   0.1649572  -0.3069071), wk =   0.0000000
        k(    7) = (   0.0000000   0.1649572   0.2046047), wk =   0.0816327
        k(    8) = (   0.0000000   0.1649572  -0.1023024), wk =   0.0000000
        k(    9) = (   0.0000000   0.3299144   0.0000000), wk =   0.0816327
        k(   10) = (   0.0000000   0.3299144  -0.3069071), wk =   0.0000000
        k(   11) = (   0.0000000   0.3299144   0.2046047), wk =   0.0816327
        k(   12) = (   0.0000000   0.3299144  -0.1023024), wk =   0.0000000
        k(   13) = (   0.0000000   0.4948717   0.0000000), wk =   0.0816327
        k(   14) = (   0.0000000   0.4948717  -0.3069071), wk =   0.0000000
        k(   15) = (   0.0000000   0.4948717   0.2046047), wk =   0.0816327
        k(   16) = (   0.0000000   0.4948717  -0.1023024), wk =   0.0000000
        k(   17) = (   0.1428571   0.2474358   0.0000000), wk =   0.0816327
        k(   18) = (   0.1428571   0.2474358  -0.3069071), wk =   0.0000000
        k(   19) = (   0.1428571   0.2474358   0.2046047), wk =   0.1632653
        k(   20) = (   0.1428571   0.2474358  -0.1023024), wk =   0.0000000
        k(   21) = (   0.1428571   0.4123930   0.0000000), wk =   0.1632653
        k(   22) = (   0.1428571   0.4123930  -0.3069071), wk =   0.0000000
        k(   23) = (   0.1428571   0.4123930   0.2046047), wk =   0.1632653
        k(   24) = (   0.1428571   0.4123930  -0.1023024), wk =   0.0000000
        k(   25) = (   0.1428571   0.5773503   0.0000000), wk =   0.0816327
        k(   26) = (   0.1428571   0.5773503  -0.3069071), wk =   0.0000000
        k(   27) = (   0.1428571   0.5773503   0.2046047), wk =   0.1632653
        k(   28) = (   0.1428571   0.5773503  -0.1023024), wk =   0.0000000
        k(   29) = (   0.2857143   0.4948717   0.0000000), wk =   0.0816327
        k(   30) = (   0.2857143   0.4948717  -0.3069071), wk =   0.0000000
        k(   31) = (   0.2857143   0.4948717   0.2046047), wk =   0.1632653
        k(   32) = (   0.2857143   0.4948717  -0.1023024), wk =   0.0000000
        k(   33) = (   0.0000000  -0.1649572   0.2046047), wk =   0.0816327
        k(   34) = (   0.0000000  -0.1649572  -0.1023024), wk =   0.0000000
        k(   35) = (   0.0000000  -0.3299144   0.2046047), wk =   0.0816327
        k(   36) = (   0.0000000  -0.3299144  -0.1023024), wk =   0.0000000
        k(   37) = (   0.0000000  -0.4948717   0.2046047), wk =   0.0816327
        k(   38) = (   0.0000000  -0.4948717  -0.1023024), wk =   0.0000000
        k(   39) = (  -0.1428571  -0.4123930   0.2046047), wk =   0.1632653
        k(   40) = (  -0.1428571  -0.4123930  -0.1023024), wk =   0.0000000

     Dense  grid:    30759 G-vectors     FFT dimensions: (  36,  36,  60)

     Estimated max dynamical RAM per process >       6.64 MB

     Estimated total dynamical RAM >     212.61 MB

     Check: negative core charge=   -0.000003

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_rhog (1):
     error reading file /tmp/QE_temp/_ph0/pwscf.save/charge-density
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...