
     Program PHONON    v.3.2.3  starts ...
     Today is 13Jun2008 at 12:50:24 

     Ultrasoft (Vanderbilt) Pseudopotentials

     nbndx  =    30  nbnd   =    30  natomwfc =    34  npwx   =     801
     nelec  =  49.00  nkb   =    72  ngl    =     307

     Check: negative/imaginary core charge=   -0.000042    0.000000

                                                                                

     crystal is                     

     bravais-lattice index     =            2
     lattice parameter (a_0)   =      10.9690  a.u.
     unit-cell volume          =     329.9447 (a.u.)^3
     number of atoms/cell      =            4
     number of atomic types    =            3
     kinetic-energy cut-off    =      27.0000  Ry
     charge density cut-off    =     300.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4

     celldm(1)=   10.96900  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 a_0)
               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/a_0)
               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 (a_0 units)
        1        Ni  58.6943   tau( 1) = (    0.25000    0.25000    0.25000  )
        2        Ni  58.6943   tau( 2) = (   -0.25000   -0.25000   -0.25000  )
        3        Mn  54.9380   tau( 3) = (   -0.50000   -0.50000   -0.50000  )
        4        Ge  72.6100   tau( 4) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (    0.00000    0.00000    0.00000 )
 
     49 Sym.Ops. (with q -> -q+G )


     G cutoff =  914.3145  (  28811 G-vectors)     FFT grid: ( 45, 45, 45)
     G cutoff =  329.1532  (   6231 G-vectors)  smooth grid: ( 25, 25, 25)
     number of k points=   94  gaussian broad. (Ry)=  0.0050     ngauss =   1
                       cart. coord. in units 2pi/a_0
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0010000
        k(    2) = (  -0.1000000   0.1000000  -0.1000000), wk =   0.0080000
        k(    3) = (  -0.2000000   0.2000000  -0.2000000), wk =   0.0080000
        k(    4) = (  -0.3000000   0.3000000  -0.3000000), wk =   0.0080000
        k(    5) = (  -0.4000000   0.4000000  -0.4000000), wk =   0.0080000
        k(    6) = (   0.5000000  -0.5000000   0.5000000), wk =   0.0040000
        k(    7) = (   0.0000000   0.2000000   0.0000000), wk =   0.0060000
        k(    8) = (  -0.1000000   0.3000000  -0.1000000), wk =   0.0240000
        k(    9) = (  -0.2000000   0.4000000  -0.2000000), wk =   0.0240000
        k(   10) = (  -0.3000000   0.5000000  -0.3000000), wk =   0.0240000
        k(   11) = (   0.6000000  -0.4000000   0.6000000), wk =   0.0240000
        k(   12) = (   0.5000000  -0.3000000   0.5000000), wk =   0.0240000
        k(   13) = (   0.4000000  -0.2000000   0.4000000), wk =   0.0240000
        k(   14) = (   0.3000000  -0.1000000   0.3000000), wk =   0.0240000
        k(   15) = (   0.2000000   0.0000000   0.2000000), wk =   0.0120000
        k(   16) = (   0.0000000   0.4000000   0.0000000), wk =   0.0060000
        k(   17) = (  -0.1000000   0.5000000  -0.1000000), wk =   0.0240000
        k(   18) = (  -0.2000000   0.6000000  -0.2000000), wk =   0.0240000
        k(   19) = (   0.7000000  -0.3000000   0.7000000), wk =   0.0240000
        k(   20) = (   0.6000000  -0.2000000   0.6000000), wk =   0.0240000
        k(   21) = (   0.5000000  -0.1000000   0.5000000), wk =   0.0240000
        k(   22) = (   0.4000000   0.0000000   0.4000000), wk =   0.0120000
        k(   23) = (   0.0000000   0.6000000   0.0000000), wk =   0.0060000
        k(   24) = (  -0.1000000   0.7000000  -0.1000000), wk =   0.0240000
        k(   25) = (   0.8000000  -0.2000000   0.8000000), wk =   0.0240000
        k(   26) = (   0.7000000  -0.1000000   0.7000000), wk =   0.0240000
        k(   27) = (   0.6000000   0.0000000   0.6000000), wk =   0.0120000
        k(   28) = (   0.0000000   0.8000000   0.0000000), wk =   0.0060000
        k(   29) = (   0.9000000  -0.1000000   0.9000000), wk =   0.0240000
        k(   30) = (   0.8000000   0.0000000   0.8000000), wk =   0.0120000
        k(   31) = (   0.0000000  -1.0000000   0.0000000), wk =   0.0030000
        k(   32) = (  -0.2000000   0.4000000   0.0000000), wk =   0.0240000
        k(   33) = (  -0.3000000   0.5000000  -0.1000000), wk =   0.0480000
        k(   34) = (   0.6000000  -0.4000000   0.8000000), wk =   0.0480000
        k(   35) = (   0.5000000  -0.3000000   0.7000000), wk =   0.0240000
        k(   36) = (  -0.2000000   0.6000000   0.0000000), wk =   0.0240000
        k(   37) = (   0.7000000  -0.3000000   0.9000000), wk =   0.0480000
        k(   38) = (   0.6000000  -0.2000000   0.8000000), wk =   0.0480000
        k(   39) = (   0.5000000  -0.1000000   0.7000000), wk =   0.0480000
        k(   40) = (   0.4000000   0.0000000   0.6000000), wk =   0.0240000
        k(   41) = (   0.8000000  -0.2000000   1.0000000), wk =   0.0240000
        k(   42) = (   0.7000000  -0.1000000   0.9000000), wk =   0.0480000
        k(   43) = (   0.6000000   0.0000000   0.8000000), wk =   0.0240000
        k(   44) = (  -0.2000000  -1.0000000   0.0000000), wk =   0.0120000
        k(   45) = (   0.6000000  -0.2000000   1.0000000), wk =   0.0240000
        k(   46) = (   0.5000000  -0.1000000   0.9000000), wk =   0.0240000
        k(   47) = (  -0.4000000  -1.0000000   0.0000000), wk =   0.0120000
        k(   48) = (   0.0000000   0.0000000   0.0000000), wk =   0.0010000
        k(   49) = (  -0.1000000   0.1000000  -0.1000000), wk =   0.0080000
        k(   50) = (  -0.2000000   0.2000000  -0.2000000), wk =   0.0080000
        k(   51) = (  -0.3000000   0.3000000  -0.3000000), wk =   0.0080000
        k(   52) = (  -0.4000000   0.4000000  -0.4000000), wk =   0.0080000
        k(   53) = (   0.5000000  -0.5000000   0.5000000), wk =   0.0040000
        k(   54) = (   0.0000000   0.2000000   0.0000000), wk =   0.0060000
        k(   55) = (  -0.1000000   0.3000000  -0.1000000), wk =   0.0240000
        k(   56) = (  -0.2000000   0.4000000  -0.2000000), wk =   0.0240000
        k(   57) = (  -0.3000000   0.5000000  -0.3000000), wk =   0.0240000
        k(   58) = (   0.6000000  -0.4000000   0.6000000), wk =   0.0240000
        k(   59) = (   0.5000000  -0.3000000   0.5000000), wk =   0.0240000
        k(   60) = (   0.4000000  -0.2000000   0.4000000), wk =   0.0240000
        k(   61) = (   0.3000000  -0.1000000   0.3000000), wk =   0.0240000
        k(   62) = (   0.2000000   0.0000000   0.2000000), wk =   0.0120000
        k(   63) = (   0.0000000   0.4000000   0.0000000), wk =   0.0060000
        k(   64) = (  -0.1000000   0.5000000  -0.1000000), wk =   0.0240000
        k(   65) = (  -0.2000000   0.6000000  -0.2000000), wk =   0.0240000
        k(   66) = (   0.7000000  -0.3000000   0.7000000), wk =   0.0240000
        k(   67) = (   0.6000000  -0.2000000   0.6000000), wk =   0.0240000
        k(   68) = (   0.5000000  -0.1000000   0.5000000), wk =   0.0240000
        k(   69) = (   0.4000000   0.0000000   0.4000000), wk =   0.0120000
        k(   70) = (   0.0000000   0.6000000   0.0000000), wk =   0.0060000
        k(   71) = (  -0.1000000   0.7000000  -0.1000000), wk =   0.0240000
        k(   72) = (   0.8000000  -0.2000000   0.8000000), wk =   0.0240000
        k(   73) = (   0.7000000  -0.1000000   0.7000000), wk =   0.0240000
        k(   74) = (   0.6000000   0.0000000   0.6000000), wk =   0.0120000
        k(   75) = (   0.0000000   0.8000000   0.0000000), wk =   0.0060000
        k(   76) = (   0.9000000  -0.1000000   0.9000000), wk =   0.0240000
        k(   77) = (   0.8000000   0.0000000   0.8000000), wk =   0.0120000
        k(   78) = (   0.0000000  -1.0000000   0.0000000), wk =   0.0030000
        k(   79) = (  -0.2000000   0.4000000   0.0000000), wk =   0.0240000
        k(   80) = (  -0.3000000   0.5000000  -0.1000000), wk =   0.0480000
        k(   81) = (   0.6000000  -0.4000000   0.8000000), wk =   0.0480000
        k(   82) = (   0.5000000  -0.3000000   0.7000000), wk =   0.0240000
        k(   83) = (  -0.2000000   0.6000000   0.0000000), wk =   0.0240000
        k(   84) = (   0.7000000  -0.3000000   0.9000000), wk =   0.0480000
        k(   85) = (   0.6000000  -0.2000000   0.8000000), wk =   0.0480000
        k(   86) = (   0.5000000  -0.1000000   0.7000000), wk =   0.0480000
        k(   87) = (   0.4000000   0.0000000   0.6000000), wk =   0.0240000
        k(   88) = (   0.8000000  -0.2000000   1.0000000), wk =   0.0240000
        k(   89) = (   0.7000000  -0.1000000   0.9000000), wk =   0.0480000
        k(   90) = (   0.6000000   0.0000000   0.8000000), wk =   0.0240000
        k(   91) = (  -0.2000000  -1.0000000   0.0000000), wk =   0.0120000
        k(   92) = (   0.6000000  -0.2000000   1.0000000), wk =   0.0240000
        k(   93) = (   0.5000000  -0.1000000   0.9000000), wk =   0.0240000
        k(   94) = (  -0.4000000  -1.0000000   0.0000000), wk =   0.0120000

     pseudo 1 is Ni (US)    zval = 10.0   lmax= 2   lloc= 0
     Version   0  0  0 of US pseudo code

     Using log mesh of  1203 points

     The pseudopotential has  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,  rinner =    0.000   0.000   0.000
                                                             0.000   0.000

     pseudo 2 is Mn (US)    zval = 15.0   lmax= 2   lloc= 0
     Version   0  0  0 of US pseudo code

     Using log mesh of   879 points

     The pseudopotential has  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  8 coefficients,  rinner =    1.000   1.000   1.000
                                                             1.000   1.000

     pseudo 3 is Ge (US)    zval = 14.0   lmax= 2   lloc= 0
     Version   0  0  0 of US pseudo code

     Using log mesh of   873 points

     The pseudopotential has  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  8 coefficients,  rinner =    1.000   1.000   1.000
                                                             1.000   1.000


     Atomic displacements:
     There are   4 irreducible representations

     Representation     1      3 modes - To be done

     Representation     2      3 modes - To be done

     Representation     3      3 modes - To be done

     Representation     4      3 modes - To be done
     PHONON       :  2m 5.30s CPU time,     2m 6.64s wall time


     Alpha used in Ewald sum =   2.7000


     Representation #  1 modes #   1  2  3

     Self-consistent Calculation
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   1 total cpu time :   466.8 secs   av.it.:  11.8
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.153E-05
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   2 total cpu time :  1059.0 secs   av.it.:  23.3
      thresh= 0.124E-03 alpha_mix =  0.700 |ddv_scf|^2 =  0.143E-06
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   3 total cpu time :  1647.2 secs   av.it.:  24.1
      thresh= 0.378E-04 alpha_mix =  0.700 |ddv_scf|^2 =  0.194E-08
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   4 total cpu time :  2230.6 secs   av.it.:  24.5
      thresh= 0.441E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.470E-10
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   5 total cpu time :  2816.6 secs   av.it.:  24.9
      thresh= 0.685E-06 alpha_mix =  0.700 |ddv_scf|^2 =  0.279E-11
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   6 total cpu time :  3394.5 secs   av.it.:  24.5
      thresh= 0.167E-06 alpha_mix =  0.700 |ddv_scf|^2 =  0.102E-12
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   7 total cpu time :  3958.3 secs   av.it.:  23.7
      thresh= 0.319E-07 alpha_mix =  0.700 |ddv_scf|^2 =  0.295E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   4  5  6

     Self-consistent Calculation
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   1 total cpu time :  4313.6 secs   av.it.:  12.5
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.196E-05
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   2 total cpu time :  4885.0 secs   av.it.:  23.1
      thresh= 0.140E-03 alpha_mix =  0.700 |ddv_scf|^2 =  0.248E-06
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   3 total cpu time :  5460.9 secs   av.it.:  23.2
      thresh= 0.498E-04 alpha_mix =  0.700 |ddv_scf|^2 =  0.310E-09
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   4 total cpu time :  6037.1 secs   av.it.:  24.4
      thresh= 0.176E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.185E-10
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   5 total cpu time :  6659.8 secs   av.it.:  24.4
      thresh= 0.430E-06 alpha_mix =  0.700 |ddv_scf|^2 =  0.322E-12
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   6 total cpu time :  7299.8 secs   av.it.:  24.8
      thresh= 0.567E-07 alpha_mix =  0.700 |ddv_scf|^2 =  0.361E-13
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   7 total cpu time :  7923.7 secs   av.it.:  24.6
      thresh= 0.190E-07 alpha_mix =  0.700 |ddv_scf|^2 =  0.499E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 modes #   7  8  9

     Self-consistent Calculation
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   1 total cpu time :  8231.1 secs   av.it.:  10.7
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.101E-05
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   2 total cpu time :  8794.9 secs   av.it.:  23.0
      thresh= 0.101E-03 alpha_mix =  0.700 |ddv_scf|^2 =  0.260E-06
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   3 total cpu time :  9375.2 secs   av.it.:  22.7
      thresh= 0.510E-04 alpha_mix =  0.700 |ddv_scf|^2 =  0.251E-09
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   4 total cpu time :  9979.7 secs   av.it.:  23.2
      thresh= 0.158E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.365E-11
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   5 total cpu time : 10559.0 secs   av.it.:  22.9
      thresh= 0.191E-06 alpha_mix =  0.700 |ddv_scf|^2 =  0.568E-13
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   6 total cpu time : 11170.2 secs   av.it.:  24.2
      thresh= 0.238E-07 alpha_mix =  0.700 |ddv_scf|^2 =  0.415E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 modes #  10 11 12

     Self-consistent Calculation
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   1 total cpu time : 11475.1 secs   av.it.:  10.4
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.435E-06
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   2 total cpu time : 12095.9 secs   av.it.:  24.1
      thresh= 0.659E-04 alpha_mix =  0.700 |ddv_scf|^2 =  0.497E-07
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   3 total cpu time : 12694.6 secs   av.it.:  24.2
      thresh= 0.223E-04 alpha_mix =  0.700 |ddv_scf|^2 =  0.143E-09
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   4 total cpu time : 13298.1 secs   av.it.:  23.9
      thresh= 0.120E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.143E-10
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   5 total cpu time : 13906.4 secs   av.it.:  24.0
      thresh= 0.378E-06 alpha_mix =  0.700 |ddv_scf|^2 =  0.915E-12
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   6 total cpu time : 14519.4 secs   av.it.:  24.2
      thresh= 0.957E-07 alpha_mix =  0.700 |ddv_scf|^2 =  0.160E-13
 
     Pert. #  1: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  2: Fermi energy shift (Ry) =    0.0000    0.0000
     Pert. #  3: Fermi energy shift (Ry) =    0.0000    0.0000

      iter #   7 total cpu time : 15150.8 secs   av.it.:  24.8
      thresh= 0.127E-07 alpha_mix =  0.700 |ddv_scf|^2 =  0.175E-14

     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 ) 

 **************************************************************************
     omega( 1) =       0.954605 [THz] =      31.842422 [cm-1]
     omega( 2) =       0.954605 [THz] =      31.842422 [cm-1]
     omega( 3) =       0.954605 [THz] =      31.842422 [cm-1]
     omega( 4) =       3.783894 [THz] =     126.217952 [cm-1]
     omega( 5) =       3.783894 [THz] =     126.217952 [cm-1]
     omega( 6) =       3.783894 [THz] =     126.217952 [cm-1]
     omega( 7) =       5.749157 [THz] =     191.772502 [cm-1]
     omega( 8) =       5.749157 [THz] =     191.772502 [cm-1]
     omega( 9) =       5.749157 [THz] =     191.772502 [cm-1]
     omega(10) =       7.571227 [THz] =     252.550632 [cm-1]
     omega(11) =       7.571227 [THz] =     252.550632 [cm-1]
     omega(12) =       7.571227 [THz] =     252.550632 [cm-1]
 **************************************************************************

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

     omega(  1 -  3) =     31.84242  [cm-1]   --> T_1u G_15  G_4-
     omega(  4 -  6) =    126.21795  [cm-1]   --> T_2g G_25' G_5+
     omega(  7 -  9) =    191.77250  [cm-1]   --> T_1u G_15  G_4-
     omega( 10 - 12) =    252.55063  [cm-1]   --> T_1u G_15  G_4-

 **************************************************************************
 
     PHONON       :     4h12m CPU time,        4h18m wall time

     INITIALIZATION: 
     phq_setup    :     1.23s CPU
     phq_init     :   122.46s CPU
 
     phq_init     :   122.46s CPU
     set_drhoc    :     5.42s CPU (       3 calls,   1.807 s avg)
     init_vloc    :     0.03s CPU (       2 calls,   0.016 s avg)
     init_us_1    :     2.73s CPU
     newd         :     1.16s CPU
     dvanqq       :    45.24s CPU
     drho         :    68.18s CPU
 
     DYNAMICAL MATRIX:
     dynmat0      :     7.14s CPU
     phqscf       : 15025.53s CPU
     dynmatrix    :     0.00s CPU
 
     phqscf       : 15025.53s CPU
     solve_linter : 15003.95s CPU (       4 calls,3750.987 s avg)
     drhodv       :    21.58s CPU (       4 calls,   5.395 s avg)
 
     dynmat0      :     7.14s CPU
     dynmat_us    :     3.10s CPU
     d2ionq       :     0.04s CPU
     dynmatcc     :     3.99s CPU
 
     dynmat_us    :     3.10s CPU
     addusdynmat  :     0.00s CPU
 
     phqscf       : 15025.53s CPU
     solve_linter : 15003.95s CPU (       4 calls,3750.987 s avg)
 
     solve_linter : 15003.95s CPU (       4 calls,3750.987 s avg)
     dvqpsi_us    :    56.75s CPU (    1128 calls,   0.050 s avg)
     ortho        :    93.08s CPU (    7614 calls,   0.012 s avg)
     cgsolve      : 14114.36s CPU (    7614 calls,   1.854 s avg)
     incdrhoscf   :   246.49s CPU (    7614 calls,   0.032 s avg)
     addusddens   :    72.84s CPU (      31 calls,   2.350 s avg)
     vpsifft      :   175.25s CPU (    6486 calls,   0.027 s avg)
     dv_of_drho   :    26.10s CPU (      81 calls,   0.322 s avg)
     mix_pot      :     2.53s CPU (      27 calls,   0.094 s avg)
     ef_shift     :     2.96s CPU (      31 calls,   0.095 s avg)
     localdos     :    24.26s CPU (       4 calls,   6.065 s avg)
     symdvscf     :    41.33s CPU (      27 calls,   1.531 s avg)
     newdq        :    90.57s CPU (      27 calls,   3.354 s avg)
     adddvscf     :    50.96s CPU (    6486 calls,   0.008 s avg)
     drhodvus     :     0.29s CPU (       4 calls,   0.073 s avg)
 
     dvqpsi_us    :    56.75s CPU (    1128 calls,   0.050 s avg)
     dvqpsi_us_on :    18.45s CPU (    1128 calls,   0.016 s avg)
 
     cgsolve      : 14114.36s CPU (    7614 calls,   1.854 s avg)
     ch_psi       : 13857.98s CPU (  270142 calls,   0.051 s avg)
 
     ch_psi       : 13857.98s CPU (  270142 calls,   0.051 s avg)
     h_psiq       : 11863.96s CPU (  270142 calls,   0.044 s avg)
     last         :  1952.11s CPU (  270142 calls,   0.007 s avg)
 
     h_psiq       : 11863.96s CPU (  270142 calls,   0.044 s avg)
     firstfft     :  6944.63s CPU ( 4258622 calls,   0.002 s avg)
     secondfft    :  2197.00s CPU ( 4258622 calls,   0.001 s avg)
     add_vuspsi   :   780.52s CPU (  270142 calls,   0.003 s avg)
 
     incdrhoscf   :   246.49s CPU (    7614 calls,   0.032 s avg)
     addusdbec    :    38.08s CPU (    8742 calls,   0.004 s avg)
 
     drhodvus     :     0.29s CPU (       4 calls,   0.073 s avg)
 
      General routines
     ccalbec      :  1409.05s CPU (  562468 calls,   0.003 s avg)
     cft3         :    23.17s CPU (    3213 calls,   0.007 s avg)
     cft3s        :  5693.55s CPU ( 9323990 calls,   0.001 s avg)
     cinterpolate :     3.28s CPU (     356 calls,   0.009 s avg)
     davcio       :     0.61s CPU (   28999 calls,   0.000 s avg)
     write_rec    :     0.00s CPU (      27 calls,   0.000 s avg)
 
