
     Program PWSCF     v.2.1.1  starts ...
     Today is  1Mar2005 at 12:29: 9 

     Ultrasoft (Vanderbilt) Pseudopotentials

     Current dimensions of program pwscf are:
     ntypx =10   npk =40000  lmax = 3
     nchix = 6  ndmx = 2000  nbrx =14 nqfx = 8


     bravais-lattice index     =           10
     lattice parameter (a_0)   =      10.9718  a.u.
     unit-cell volume          =     330.1974 (a.u.)^3
     number of atoms/cell      =            4
     number of atomic types    =            3
     kinetic-energy cutoff     =      30.0000  Ry
     charge density cutoff     =     288.0000  Ry
     convergence threshold     =      1.0E-07
     beta                      =       0.4000
     number of iterations used =            8  plain     mixing
     Exchange-correlation      =  SLA  PW   PBE  PBE (1434)
     iswitch =  0

     celldm(1)=  10.971800  celldm(2)=   1.000000  celldm(3)=   1.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of a_0)
               a(1) = (  0.500000  0.000000  0.500000 )  
               a(2) = (  0.500000  0.500000  0.000000 )  
               a(3) = (  0.000000  0.500000  0.500000 )  

     reciprocal axes: (cart. coord. in units 2 pi/a_0)
               b(1) = (  1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000 -1.000000 )  
               b(3) = ( -1.000000  1.000000  1.000000 )  


     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 Ga (US)    zval = 13.0   lmax= 2   lloc= 0
     Version   0  0  0 of US pseudo code
     Using log mesh of   871 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 species   valence    mass     pseudopotential
        Ni            10.00    58.69000     Ni( 1.00)
        Mn            15.00    54.94000     Mn( 1.00)
        Ga            13.00    69.72000     Ga( 1.00)

     Starting magnetic structure 
     atomic species   magnetization
        Ni           1.000
        Mn           1.000
        Ga           1.000

     48 Sym.Ops. (with inversion)


   Cartesian axes

     site n.     atom                  positions (a_0 units)
         1           Ga  tau(  1) = (   0.0000000   0.0000000   0.0000000  )
         2           Ni  tau(  2) = (   0.2500000   0.2500000   0.2500000  )
         3           Mn  tau(  3) = (   0.5000000   0.5000000   0.5000000  )
         4           Ni  tau(  4) = (   0.7500000   0.7500000   0.7500000  )

     number of k points=   94 (tetrahedron method)
                       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) = (   0.0000000   0.4000000   0.2000000), wk =   0.0240000
        k(  33) = (  -0.1000000   0.5000000   0.3000000), wk =   0.0480000
        k(  34) = (   0.8000000  -0.4000000  -0.6000000), wk =   0.0480000
        k(  35) = (   0.7000000  -0.3000000  -0.5000000), wk =   0.0240000
        k(  36) = (   0.0000000   0.6000000   0.2000000), wk =   0.0240000
        k(  37) = (   0.9000000  -0.3000000  -0.7000000), wk =   0.0480000
        k(  38) = (   0.8000000  -0.2000000  -0.6000000), wk =   0.0480000
        k(  39) = (   0.7000000  -0.1000000  -0.5000000), wk =   0.0480000
        k(  40) = (   0.6000000   0.0000000  -0.4000000), wk =   0.0240000
        k(  41) = (   1.0000000  -0.2000000  -0.8000000), wk =   0.0240000
        k(  42) = (   0.9000000  -0.1000000  -0.7000000), wk =   0.0480000
        k(  43) = (   0.8000000   0.0000000  -0.6000000), wk =   0.0240000
        k(  44) = (   0.0000000  -1.0000000   0.2000000), wk =   0.0120000
        k(  45) = (   1.0000000  -0.2000000  -0.6000000), wk =   0.0240000
        k(  46) = (   0.9000000  -0.1000000  -0.5000000), wk =   0.0240000
        k(  47) = (   0.0000000  -1.0000000   0.4000000), 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) = (   0.0000000   0.4000000   0.2000000), wk =   0.0240000
        k(  80) = (  -0.1000000   0.5000000   0.3000000), wk =   0.0480000
        k(  81) = (   0.8000000  -0.4000000  -0.6000000), wk =   0.0480000
        k(  82) = (   0.7000000  -0.3000000  -0.5000000), wk =   0.0240000
        k(  83) = (   0.0000000   0.6000000   0.2000000), wk =   0.0240000
        k(  84) = (   0.9000000  -0.3000000  -0.7000000), wk =   0.0480000
        k(  85) = (   0.8000000  -0.2000000  -0.6000000), wk =   0.0480000
        k(  86) = (   0.7000000  -0.1000000  -0.5000000), wk =   0.0480000
        k(  87) = (   0.6000000   0.0000000  -0.4000000), wk =   0.0240000
        k(  88) = (   1.0000000  -0.2000000  -0.8000000), wk =   0.0240000
        k(  89) = (   0.9000000  -0.1000000  -0.7000000), wk =   0.0480000
        k(  90) = (   0.8000000   0.0000000  -0.6000000), wk =   0.0240000
        k(  91) = (   0.0000000  -1.0000000   0.2000000), wk =   0.0120000
        k(  92) = (   1.0000000  -0.2000000  -0.6000000), wk =   0.0240000
        k(  93) = (   0.9000000  -0.1000000  -0.5000000), wk =   0.0240000
        k(  94) = (   0.0000000  -1.0000000   0.4000000), wk =   0.0120000

     G cutoff =  878.1901  (  27317 G-vectors)     FFT grid: ( 45, 45, 45)
     G cutoff =  365.9125  (   7391 G-vectors)  smooth grid: ( 27, 27, 27)

     nbndx  =   140  nbnd   =    35  natomwfc =    34  npwx   =     941
     nelec  =   48.00 nkb   =    72  ngl    =     296
  warning: negative or imaginary core charge    -0.000039    0.000000

     Initial potential from superposition of free atoms

     npt with |zeta| > 1:    19826, npt tot    91125,     21.76 %
     Starting wfc are atomic +   1 random wfc

     total cpu time spent up to now is     26.48 secs

     Self-consistent Calculation

     iteration #  1     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  1.00E-02,  avg # of iterations =  3.2

     total cpu time spent up to now is    100.91 secs

     total energy              =  -554.18069630 ryd
     estimated scf accuracy    <    14.75909298 ryd

     total magnetization       =    13.17 Bohr mag/cell
     absolute magnetization    =    13.18 Bohr mag/cell

     iteration #  2     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  1.00E-02,  avg # of iterations =  2.4

     total cpu time spent up to now is    172.90 secs

     total energy              =  -555.12144288 ryd
     estimated scf accuracy    <    11.76743063 ryd

     total magnetization       =     6.14 Bohr mag/cell
     absolute magnetization    =     6.14 Bohr mag/cell

     iteration #  3     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  1.00E-02,  avg # of iterations =  2.0

     total cpu time spent up to now is    241.01 secs

     total energy              =  -558.71055275 ryd
     estimated scf accuracy    <     3.16607513 ryd

     total magnetization       =     7.29 Bohr mag/cell
     absolute magnetization    =     7.41 Bohr mag/cell

     iteration #  4     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  6.60E-03,  avg # of iterations =  1.7

     total cpu time spent up to now is    303.42 secs

     total energy              =  -557.89974349 ryd
     estimated scf accuracy    <     1.53569529 ryd

     total magnetization       =     4.05 Bohr mag/cell
     absolute magnetization    =     4.40 Bohr mag/cell

     iteration #  5     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  3.20E-03,  avg # of iterations =  2.0

     total cpu time spent up to now is    369.95 secs

     total energy              =  -558.54953592 ryd
     estimated scf accuracy    <     0.55664347 ryd

     total magnetization       =     5.00 Bohr mag/cell
     absolute magnetization    =     5.37 Bohr mag/cell

     iteration #  6     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  1.16E-03,  avg # of iterations =  2.0

     total cpu time spent up to now is    437.09 secs

     total energy              =  -558.80210497 ryd
     estimated scf accuracy    <     0.27483609 ryd

     total magnetization       =     4.13 Bohr mag/cell
     absolute magnetization    =     4.59 Bohr mag/cell

     iteration #  7     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  5.73E-04,  avg # of iterations =  2.1

     total cpu time spent up to now is    505.67 secs

     total energy              =  -558.94001384 ryd
     estimated scf accuracy    <     0.09132956 ryd

     total magnetization       =     4.57 Bohr mag/cell
     absolute magnetization    =     4.97 Bohr mag/cell

     iteration #  8     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  1.90E-04,  avg # of iterations =  2.0

     total cpu time spent up to now is    571.44 secs

     total energy              =  -559.01915145 ryd
     estimated scf accuracy    <     0.00191613 ryd

     total magnetization       =     4.16 Bohr mag/cell
     absolute magnetization    =     4.56 Bohr mag/cell

     iteration #  9     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  3.99E-06,  avg # of iterations =  2.4

     total cpu time spent up to now is    640.54 secs

     total energy              =  -559.01307329 ryd
     estimated scf accuracy    <     0.00872583 ryd

     total magnetization       =     4.08 Bohr mag/cell
     absolute magnetization    =     4.48 Bohr mag/cell

     iteration # 10     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  3.99E-06,  avg # of iterations =  2.0

     total cpu time spent up to now is    707.29 secs

     total energy              =  -559.02018703 ryd
     estimated scf accuracy    <     0.00030611 ryd

     total magnetization       =     4.13 Bohr mag/cell
     absolute magnetization    =     4.52 Bohr mag/cell

     iteration # 11     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  6.38E-07,  avg # of iterations =  1.7

     total cpu time spent up to now is    769.41 secs

     total energy              =  -559.02035724 ryd
     estimated scf accuracy    <     0.00006553 ryd

     total magnetization       =     4.13 Bohr mag/cell
     absolute magnetization    =     4.51 Bohr mag/cell

     iteration # 12     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  1.37E-07,  avg # of iterations =  1.9

     total cpu time spent up to now is    835.34 secs

     total energy              =  -559.02037404 ryd
     estimated scf accuracy    <     0.00000223 ryd

     total magnetization       =     4.12 Bohr mag/cell
     absolute magnetization    =     4.49 Bohr mag/cell

     iteration # 13     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  4.64E-09,  avg # of iterations =  1.8

     total cpu time spent up to now is    901.36 secs

     total energy              =  -559.02038392 ryd
     estimated scf accuracy    <     0.00000022 ryd

     total magnetization       =     4.12 Bohr mag/cell
     absolute magnetization    =     4.50 Bohr mag/cell

     iteration # 14     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  4.51E-10,  avg # of iterations =  1.8

     total cpu time spent up to now is    965.94 secs

     End of self-consistent calculation

 ------ SPIN UP ------------


          k = 0.0000 0.0000 0.0000 (  941 PWs)   bands (ev):

   -66.3386 -35.0495 -35.0495 -35.0495   0.2099   0.2099   0.2099   0.2350
     0.2350   4.3617  10.9696  10.9696  11.2729  11.2729  11.2729  11.7213
    11.7213  11.7213  13.5830  13.5830  13.6349  13.6349  13.6349  13.7058
    13.7058  19.2838  19.4712  19.4712  19.4712  20.7970  20.7970  20.7970
    22.5155  22.7994  22.7994

          k =-0.1000 0.1000 0.1000 (  917 PWs)   bands (ev):

   -66.3382 -35.0494 -35.0491 -35.0491   0.2097   0.2113   0.2113   0.2362
     0.2362   4.4993  10.8906  10.8906  11.1669  11.4091  11.4091  11.7037
    11.7178  11.7178  13.4924  13.5174  13.5174  13.5756  13.5756  13.7692
    13.7692  18.0185  19.2406  19.2406  19.6370  20.9706  20.9706  21.1576
    22.6888  22.7397  22.7397

          k =-0.2000 0.2000 0.2000 (  917 PWs)   bands (ev):

   -66.3382 -35.0503 -35.0493 -35.0493   0.2088   0.2143   0.2143   0.2399
     0.2399   4.9057  10.8024  10.8024  10.8258  11.5696  11.5696  11.5922
    11.7971  11.7971  13.2081  13.3265  13.3265  13.5545  13.5545  13.8116
    13.8116  16.5722  18.9012  18.9012  19.1770  20.7552  20.7552  22.0784
    22.9292  23.2439  23.2439

          k =-0.3000 0.3000 0.3000 (  920 PWs)   bands (ev):

   -66.3383 -35.0514 -35.0496 -35.0496   0.2074   0.2172   0.2172   0.2453
     0.2453   5.5563  10.0729  10.7624  10.7624  11.5100  11.5711  11.5711
    12.0509  12.0509  13.0332  13.1121  13.1121  13.5371  13.5371  13.8109
    13.8109  15.3518  18.7032  18.7032  18.8761  20.1233  20.1233  22.3374
    24.1805  24.4521  24.4521

          k =-0.4000 0.4000 0.4000 (  911 PWs)   bands (ev):

   -66.3381 -35.0521 -35.0496 -35.0496   0.2062   0.2190   0.2190   0.2502
     0.2502   6.3804   9.0433  10.7542  10.7542  11.5529  11.5585  11.5585
    12.2773  12.2773  12.9351  12.9351  12.9865  13.5268  13.5268  13.7838
    13.7838  14.4907  18.6958  18.6958  18.7292  19.5246  19.5246  22.3438
    26.0245  26.0245  26.0459

          k = 0.5000-0.5000-0.5000 (  912 PWs)   bands (ev):

   -66.3381 -35.0525 -35.0497 -35.0497   0.2058   0.2196   0.2196   0.2522
     0.2522   6.9723   8.3584  10.7545  10.7545  11.5568  11.5568  11.5999
    12.3665  12.3665  12.8659  12.8659  12.9870  13.5228  13.5228  13.7668
    13.7668  14.1597  18.6857  18.7857  18.7857  19.2193  19.2193  22.3382
    27.6289  27.6289  28.0520

          k = 0.0000 0.2000 0.0000 (  925 PWs)   bands (ev):

   -66.3383 -35.0494 -35.0494 -35.0494   0.2076   0.2127   0.2127   0.2356
     0.2373   4.5449  10.6909  11.0322  11.3276  11.3276  11.4004  11.6284
    11.7574  11.7574  13.4524  13.5219  13.5219  13.5236  13.5996  13.7032
    13.8076  18.2479  18.5961  18.5961  20.2524  20.6054  21.3339  21.3339
    21.8235  23.6653  23.6653

          k =-0.1000 0.3000 0.1000 (  921 PWs)   bands (ev):

   -66.3383 -35.0501 -35.0495 -35.0494   0.2061   0.2155   0.2160   0.2370
     0.2406   4.8607  10.4713  11.0115  11.1918  11.4733  11.5150  11.6346
    11.7486  11.8279  13.2783  13.3322  13.3522  13.4893  13.5998  13.7196
    13.8511  17.0236  18.0042  18.2392  20.0630  20.7354  20.9616  21.6088
    22.7658  23.7492  24.3292

          k =-0.2000 0.4000 0.2000 (  923 PWs)   bands (ev):

   -66.3383 -35.0514 -35.0497 -35.0495   0.2057   0.2176   0.2191   0.2405
     0.2457   5.4282  10.1606  10.8601  10.9553  11.4394  11.5577  11.6614
    11.9164  12.0431  13.0446  13.1016  13.2084  13.4712  13.5799  13.7254
    13.8683  15.7138  17.6088  17.8696  19.4808  20.5991  21.4224  21.8712
    23.2063  24.7905  25.2508

          k =-0.3000 0.5000 0.3000 (  911 PWs)   bands (ev):

   -66.3381 -35.0518 -35.0497 -35.0497   0.2061   0.2185   0.2210   0.2451
     0.2505   6.1955   9.4125  10.6488  10.9021  11.4800  11.5642  11.6107
    12.1749  12.2907  12.8969  12.9070  13.1022  13.4771  13.5571  13.7271
    13.8300  14.7111  17.4606  17.5293  19.0500  20.4579  20.9853  23.0981
    23.5042  26.5127  26.6107

          k = 0.6000-0.4000-0.6000 (  915 PWs)   bands (ev):

   -66.3381 -35.0524 -35.0499 -35.0498   0.2067   0.2186   0.2216   0.2487
     0.2525   6.9476   8.5704  10.6404  10.8380  11.5336  11.5561  11.6110
    12.3550  12.4069  12.8180  12.8312  13.0247  13.4949  13.5416  13.7542
    13.7694  14.1816  17.2319  17.5875  18.8609  20.4773  20.5709  23.1199
    25.3255  27.5730  27.8931

          k = 0.5000-0.3000-0.5000 (  916 PWs)   bands (ev):

   -66.3382 -35.0522 -35.0500 -35.0498   0.2073   0.2185   0.2209   0.2495
     0.2506   6.7360   8.8093  10.7047  10.7644  11.5152  11.5453  11.6241
    12.3426  12.3624  12.8202  12.8701  13.0118  13.5114  13.5172  13.7033
    13.8488  14.3003  17.0573  17.9776  18.8675  20.3201  20.6223  23.1588
    25.6736  25.7503  27.4820

          k = 0.4000-0.2000-0.4000 (  910 PWs)   bands (ev):

   -66.3381 -35.0515 -35.0498 -35.0495   0.2077   0.2181   0.2190   0.2459
     0.2471   5.9238   9.7399  10.7031  10.8410  11.4645  11.5568  11.6109
    12.1407  12.1707  12.8978  13.0358  13.0773  13.4870  13.5426  13.6959
    13.9080  15.0196  17.0687  18.5410  19.0343  20.3410  20.8419  23.0844
    23.9425  24.1091  27.0312

          k = 0.3000-0.1000-0.3000 (  920 PWs)   bands (ev):

   -66.3383 -35.0510 -35.0496 -35.0493   0.2081   0.2158   0.2168   0.2408
     0.2429   5.2133  10.4318  10.6887  11.1162  11.4726  11.5584  11.6012
    11.8815  11.9089  13.0999  13.1921  13.2346  13.4973  13.5660  13.7063
    13.9147  16.1515  17.2784  19.0921  19.3717  20.7542  21.0642  22.1556
    22.4776  23.5959  25.4832

          k = 0.2000 0.0000-0.2000 (  915 PWs)   bands (ev):

   -66.3382 -35.0498 -35.0493 -35.0491   0.2087   0.2126   0.2143   0.2374
     0.2387   4.7263  10.7499  10.7674  11.2698  11.3844  11.6210  11.6242
    11.6642  11.7834  13.3470  13.3762  13.4066  13.5412  13.5798  13.7148
    13.8649  17.4136  17.8372  19.4384  19.7930  21.0122  21.1871  21.4221
    21.7864  23.2341  24.0092

          k = 0.0000 0.4000 0.0000 (  913 PWs)   bands (ev):

   -66.3381 -35.0505 -35.0495 -35.0495   0.2015   0.2199   0.2199   0.2351
     0.2432   5.0813  10.1715  11.2138  11.3573  11.4588  11.4588  11.5539
    11.8990  11.8990  13.2519  13.2519  13.2835  13.3499  13.6273  13.6965
    13.8170  17.1633  17.2136  17.2136  19.4065  19.6554  22.4052  22.4052
    23.1732  25.4849  25.4850

          k =-0.1000 0.5000 0.1000 (  916 PWs)   bands (ev):

   -66.3382 -35.0512 -35.0499 -35.0498   0.1993   0.2230   0.2237   0.2349
     0.2475   5.5523   9.9090  11.1006  11.2434  11.4087  11.5513  11.7505
    11.9266  12.0889  13.0394  13.0442  13.2385  13.2986  13.6214  13.6945
    13.8148  16.0159  16.6402  16.6685  19.0286  20.0047  22.4460  22.7844
    24.5012  25.8158  26.3374

          k =-0.2000 0.6000 0.2000 (  906 PWs)   bands (ev):

   -66.3380 -35.0515 -35.0500 -35.0499   0.2004   0.2232   0.2260   0.2369
     0.2517   6.2284   9.5808  10.6680  11.1912  11.4088  11.5787  11.7786
    12.0382  12.3537  12.8303  12.8746  13.2116  13.3242  13.5901  13.7060
    13.7943  14.9188  16.1414  16.3342  18.8291  21.2323  22.2511  22.6325
    24.9405  27.1160  27.4019

          k = 0.7000-0.3000-0.7000 (  917 PWs)   bands (ev):

   -66.3382 -35.0521 -35.0503 -35.0500   0.2040   0.2210   0.2267   0.2401
     0.2536   6.9644   9.0249  10.4013  11.0819  11.4114  11.5654  11.7531
    12.2459  12.4926  12.7207  12.8013  13.1464  13.3909  13.5365  13.7347
    13.7881  14.2347  15.7924  16.3490  18.7352  22.0890  22.2697  22.9275
    24.9738  27.6102  27.8365

          k = 0.6000-0.2000-0.6000 (  922 PWs)   bands (ev):

   -66.3383 -35.0521 -35.0506 -35.0500   0.2086   0.2176   0.2258   0.2431
     0.2519   7.1387   8.8911  10.3873  10.9308  11.3783  11.5345  11.7940
    12.3634  12.4787  12.7257  12.7669  13.0328  13.4180  13.4515  13.7522
    13.9173  14.1556  15.6253  16.7206  18.7457  21.9561  22.0026  24.8611
    24.9398  25.5745  25.8825

          k = 0.5000-0.1000-0.5000 (  911 PWs)   bands (ev):

   -66.3381 -35.0516 -35.0504 -35.0497   0.2109   0.2158   0.2235   0.2449
     0.2477   6.4818   9.5304  10.5687  10.7807  11.3527  11.5273  11.8232
    12.2416  12.3027  12.7428  12.8847  13.0444  13.3660  13.5042  13.7128
    13.9875  14.7526  15.6461  17.4023  18.8635  21.8090  21.9874  23.5283
    23.7407  25.3584  27.2059

          k = 0.4000 0.0000-0.4000 (  919 PWs)   bands (ev):

   -66.3382 -35.0514 -35.0501 -35.0495   0.2090   0.2172   0.2196   0.2435
     0.2448   5.7604  10.0571  10.6866  10.9965  11.3447  11.5585  11.7189
    12.0197  12.0812  12.8824  13.0763  13.1096  13.4068  13.5461  13.6809
    13.9802  15.7679  15.8988  18.2696  19.1028  21.7349  21.9975  22.0959
    22.3191  24.8113  27.6816

          k = 0.0000 0.6000 0.0000 (  910 PWs)   bands (ev):

   -66.3381 -35.0514 -35.0500 -35.0500   0.1936   0.2285   0.2285   0.2303
     0.2505   5.9169   9.6436  10.9969  11.4960  11.5847  11.5847  11.5980
    12.2169  12.2169  12.9649  12.9649  13.0773  13.2391  13.6353  13.6882
    13.7322  15.6773  15.8914  15.8914  18.5180  19.3102  23.9011  23.9011
    25.3839  27.6412  27.6414

          k =-0.1000 0.7000 0.1000 (  915 PWs)   bands (ev):

   -66.3381 -35.0518 -35.0502 -35.0502   0.1922   0.2277   0.2314   0.2315
     0.2539   6.4762   9.4333  10.7524  11.4265  11.5595  11.6219  11.7485
    12.2701  12.4254  12.8116  12.8577  13.0604  13.2670  13.6127  13.6987
    13.6988  15.0141  15.0798  15.4103  18.5570  19.6401  24.1513  24.3260
    26.6965  28.0830  28.2964

          k = 0.8000-0.2000-0.8000 (  917 PWs)   bands (ev):

   -66.3381 -35.0520 -35.0505 -35.0503   0.1957   0.2271   0.2314   0.2324
     0.2555   7.1032   9.2800  10.3483  11.2715  11.4589  11.6091  11.8533
    12.2479  12.4261  12.7988  12.8094  13.2047  13.2692  13.5144  13.7013
    13.8156  14.2596  14.7562  15.2684  18.6081  20.8825  23.9622  24.1181
    27.0938  27.8406  28.0907

          k = 0.7000-0.1000-0.7000 (  921 PWs)   bands (ev):

   -66.3382 -35.0519 -35.0510 -35.0503   0.2024   0.2235   0.2314   0.2341
     0.2541   7.4319   9.2954   9.9607  11.1997  11.2361  11.5481  11.9386
    12.2900  12.5053  12.6893  12.8020  13.1089  13.3344  13.3484  13.8424
    13.9894  14.0235  14.6364  15.5964  18.6405  22.6689  23.7460  23.7486
    25.5531  25.7416  27.5408

          k = 0.6000 0.0000-0.6000 (  915 PWs)   bands (ev):

   -66.3381 -35.0516 -35.0510 -35.0499   0.2097   0.2173   0.2283   0.2397
     0.2508   7.0994   9.4700  10.0469  10.9757  11.2472  11.5171  12.0059
    12.2459  12.4992  12.6912  12.7454  13.0106  13.2881  13.4303  13.8088
    14.0309  14.4580  14.7416  16.3724  18.7182  23.2171  23.5854  23.5956
    24.0967  24.8248  27.0524

          k = 0.0000 0.8000 0.0000 (  914 PWs)   bands (ev):

   -66.3381 -35.0520 -35.0504 -35.0504   0.1871   0.2232   0.2352   0.2352
     0.2565   6.8869   9.2340  10.7043  11.3388  11.6710  11.6710  11.8410
    12.5518  12.5518  12.7398  12.9366  12.9366  13.2980  13.5990  13.6022
    13.6815  14.4911  14.7469  14.7469  18.2331  19.1451  25.7290  25.7290
    27.4206  28.6947  29.8214

          k = 0.9000-0.1000-0.9000 (  925 PWs)   bands (ev):

   -66.3383 -35.0524 -35.0505 -35.0505   0.1877   0.2224   0.2353   0.2364
     0.2577   7.3203   9.1469  10.5271  11.1170  11.6594  11.7425  11.9295
    12.2900  12.5316  12.8710  12.9824  13.1127  13.3442  13.5157  13.6118
    13.8141  14.1776  14.2724  14.4041  18.4023  19.4919  26.0162  26.0485
    27.8631  28.2234  29.1417

          k = 0.8000 0.0000-0.8000 (  922 PWs)   bands (ev):

   -66.3382 -35.0521 -35.0508 -35.0504   0.1938   0.2263   0.2308   0.2351
     0.2565   7.5291   9.3056  10.1228  11.0604  11.5960  11.6361  11.8507
    12.3112  12.4595  12.8370  12.8693  13.1971  13.2174  13.4139  13.7316
    13.9857  14.0443  14.2597  14.6752  18.5539  20.7750  25.4105  25.7508
    25.8480  26.3905  29.3239

          k = 0.0000-1.0000 0.0000 (  934 PWs)   bands (ev):

   -66.3384 -35.0527 -35.0505 -35.0505   0.1845   0.2198   0.2377   0.2377
     0.2587   7.4413   9.0345  10.5942  11.0416  11.7052  11.7052  12.0945
    12.4891  12.5400  12.5400  13.3576  13.3576  13.3774  13.4956  13.5589
    13.6790  14.0454  14.0454  14.1488  18.1672  19.0971  27.4076  27.4076
    28.4208  28.4208  28.4322

          k = 0.0000 0.4000 0.2000 (  922 PWs)   bands (ev):

   -66.3383 -35.0510 -35.0497 -35.0495   0.2043   0.2188   0.2192   0.2378
     0.2443   5.2559  10.2045  10.9449  11.2861  11.3541  11.5449  11.7433
    11.7814  11.9494  13.1043  13.1671  13.2494  13.4137  13.5984  13.6909
    13.8912  16.5057  16.7067  17.8309  20.0544  20.4803  20.9852  22.4472
    23.0592  24.5246  25.8768

          k =-0.1000 0.5000 0.3000 (  911 PWs)   bands (ev):

   -66.3381 -35.0514 -35.0500 -35.0496   0.2049   0.2192   0.2227   0.2402
     0.2484   5.8813   9.8610  10.7880  10.9752  11.3862  11.6161  11.7030
    11.9997  12.1901  12.8713  13.0019  13.1591  13.3808  13.5714  13.6833
    13.9149  15.3422  16.3048  17.2161  19.7522  20.6947  21.5625  22.5516
    24.0005  25.1068  27.5807

          k = 0.8000-0.4000-0.6000 (  909 PWs)   bands (ev):

   -66.3380 -35.0518 -35.0502 -35.0497   0.2071   0.2178   0.2249   0.2431
     0.2515   6.6488   9.2147  10.5322  10.9252  11.4069  11.6023  11.6976
    12.2361  12.4166  12.7578  12.8383  13.0906  13.4126  13.5298  13.7041
    13.8799  14.4576  16.1895  16.7074  19.5012  20.5192  22.3612  23.2339
    24.4295  26.3232  27.4020

          k = 0.7000-0.3000-0.5000 (  916 PWs)   bands (ev):

   -66.3382 -35.0523 -35.0503 -35.0498   0.2085   0.2166   0.2256   0.2444
     0.2526   7.1530   8.7036  10.4707  10.9213  11.4197  11.6101  11.6775
    12.3623  12.4838  12.7439  12.7707  13.0495  13.4725  13.4921  13.7344
    13.8253  14.1231  16.2380  16.4364  19.4162  20.4606  22.3275  24.4017
    25.0914  25.2710  28.2147

          k = 0.0000 0.6000 0.2000 (  919 PWs)   bands (ev):

   -66.3382 -35.0515 -35.0504 -35.0500   0.1976   0.2246   0.2281   0.2338
     0.2510   6.0746   9.6632  10.8741  11.2179  11.4380  11.6436  11.8195
    12.0168  12.2701  12.8354  12.9435  13.2111  13.2194  13.6106  13.6820
    13.8197  15.5479  15.6271  15.9518  19.2359  20.0133  22.3494  24.0154
    25.1685  26.6420  27.9451

          k = 0.9000-0.3000-0.7000 (  916 PWs)   bands (ev):

   -66.3381 -35.0518 -35.0505 -35.0500   0.2001   0.2228   0.2308   0.2345
     0.2534   6.7439   9.4201  10.4779  11.1649  11.3811  11.6644  11.8529
    12.0948  12.4745  12.7326  12.8151  13.1813  13.2483  13.5664  13.6997
    13.8476  14.6000  15.3460  15.4336  19.3770  21.0797  21.9942  24.3632
    26.0292  27.2557  27.6154

          k = 0.8000-0.2000-0.6000 (  919 PWs)   bands (ev):

   -66.3382 -35.0520 -35.0508 -35.0500   0.2055   0.2186   0.2315   0.2363
     0.2538   7.3048   9.1388  10.1803  11.1099  11.3062  11.6309  11.8299
    12.2316  12.5648  12.6890  12.7565  13.1318  13.3641  13.4667  13.7558
    13.8647  14.1181  15.0959  15.4320  19.4314  21.6628  22.8173  24.2395
    25.2361  26.3882  28.2975

          k = 0.7000-0.1000-0.5000 (  914 PWs)   bands (ev):

   -66.3381 -35.0517 -35.0509 -35.0499   0.2109   0.2139   0.2303   0.2385
     0.2522   7.1620   9.2839  10.1759  11.0010  11.2895  11.5868  11.9022
    12.2137  12.5927  12.6901  12.7117  13.0604  13.3129  13.4710  13.7779
    13.9631  14.2673  15.0062  15.8155  19.5939  21.4539  23.1390  24.1735
    24.9342  25.8201  26.9105

          k = 0.6000 0.0000-0.4000 (  915 PWs)   bands (ev):

   -66.3381 -35.0516 -35.0506 -35.0498   0.2075   0.2171   0.2272   0.2399
     0.2501   6.5153   9.6158  10.5212  10.8911  11.3350  11.5928  11.9166
    12.0625  12.3922  12.7160  12.8638  13.0885  13.2947  13.5319  13.7154
    13.9698  15.0098  15.1634  16.4462  19.8691  21.2218  21.6701  24.1130
    24.1502  26.2840  27.2401

          k = 1.0000-0.2000-0.8000 (  921 PWs)   bands (ev):

   -66.3382 -35.0521 -35.0505 -35.0503   0.1919   0.2259   0.2310   0.2351
     0.2559   7.0022   9.2943  10.5512  11.2353  11.6206  11.7001  11.7598
    12.3880  12.3997  12.7983  12.9002  13.0457  13.2704  13.6068  13.6204
    13.7963  14.5721  14.6236  14.6961  18.8886  19.7679  23.9347  25.8569
    27.1529  28.0478  29.0830

          k = 0.9000-0.1000-0.7000 (  918 PWs)   bands (ev):

   -66.3382 -35.0520 -35.0508 -35.0502   0.1968   0.2257   0.2285   0.2361
     0.2559   7.4477   9.3340  10.1863  11.0442  11.5408  11.6655  11.8288
    12.3137  12.3892  12.7284  12.9495  13.1806  13.2678  13.5083  13.6902
    13.9289  14.0949  14.3733  14.5950  19.2073  20.8707  23.5284  25.3762
    26.2923  28.0160  28.8540

          k = 0.8000 0.0000-0.6000 (  918 PWs)   bands (ev):

   -66.3381 -35.0515 -35.0512 -35.0502   0.2047   0.2196   0.2324   0.2345
     0.2541   7.5086   9.6635   9.6754  11.0383  11.3420  11.5964  11.9547
    12.1900  12.5188  12.7100  12.8266  13.1021  13.2850  13.4349  13.8519
    13.9733  14.0555  14.4106  15.0406  19.3785  22.6860  22.9980  23.5482
    25.9968  26.2659  28.5577

          k = 0.0000-1.0000 0.2000 (  926 PWs)   bands (ev):

   -66.3383 -35.0525 -35.0506 -35.0505   0.1897   0.2230   0.2327   0.2378
     0.2576   7.5000   9.1699  10.4320  10.9900  11.6972  11.7218  11.9021
    12.2192  12.5251  12.8582  12.9545  13.2868  13.3048  13.5130  13.6483
    13.9674  14.0061  14.1030  14.1742  18.7981  19.6938  25.4372  26.0141
    27.5426  28.5303  28.8555

          k = 1.0000-0.2000-0.6000 (  918 PWs)   bands (ev):

   -66.3382 -35.0519 -35.0509 -35.0500   0.2044   0.2184   0.2326   0.2348
     0.2541   7.2817   9.4295  10.1554  11.0205  11.3772  11.6940  11.9221
    12.0760  12.5474  12.6970  12.8318  13.1312  13.2373  13.5586  13.7032
    13.9763  14.2884  14.5704  14.8556  20.4242  21.3662  21.6385  25.0270
    26.1419  26.6913  28.4414

          k = 0.9000-0.1000-0.5000 (  920 PWs)   bands (ev):

   -66.3382 -35.0517 -35.0512 -35.0502   0.2110   0.2120   0.2318   0.2361
     0.2543   7.5383   9.5338   9.8974  10.9382  11.3994  11.7062  11.8990
    12.0605  12.5811  12.6140  12.9107  13.1555  13.3093  13.5379  13.7828
    13.8261  14.1195  14.4927  14.5547  20.6663  21.4805  22.8963  22.9880
    26.4400  27.7725  28.9836

          k = 0.0000-1.0000 0.4000 (  912 PWs)   bands (ev):

   -66.3380 -35.0518 -35.0509 -35.0502   0.2031   0.2195   0.2285   0.2378
     0.2554   7.6052   9.5393  10.0227  10.8329  11.5391  11.7502  11.7994
    12.1293  12.4530  12.6365  13.0856  13.2025  13.2949  13.6118  13.7043
    13.7962  14.1757  14.1794  14.1991  20.4126  21.2657  22.8735  23.4571
    27.9198  28.4348  28.7583

 ------ SPIN DOWN ----------


          k = 0.0000 0.0000 0.0000 (  941 PWs)   bands (ev):

   -62.1271 -30.9455 -30.9455 -30.9455   0.1965   0.1965   0.1965   0.2266
     0.2266   4.4453  11.5070  11.5070  11.5070  11.9213  11.9213  13.3304
    13.3304  13.3304  14.2451  14.2451  14.8176  14.8176  14.8176  16.6956
    16.6956  19.5172  19.5172  19.5172  19.7261  21.9274  21.9274  21.9274
    22.5286  23.4377  23.4377

          k =-0.1000 0.1000 0.1000 (  917 PWs)   bands (ev):

   -62.1261 -30.9453 -30.9450 -30.9450   0.1962   0.1978   0.1978   0.2277
     0.2277   4.5814  11.4028  11.4990  11.4990  11.9909  11.9909  13.2976
    13.2976  13.3437  14.0817  14.0817  14.4480  14.9617  14.9617  16.6265
    16.6265  18.5965  19.5679  19.5679  20.3957  21.4613  21.7865  21.7865
    22.9730  23.4989  23.4989

          k =-0.2000 0.2000 0.2000 (  917 PWs)   bands (ev):

   -62.1261 -30.9465 -30.9451 -30.9451   0.1953   0.2009   0.2009   0.2309
     0.2309   4.9828  11.0546  11.5071  11.5071  12.1544  12.1544  13.2020
    13.2020  13.3424  13.6253  13.7946  13.7946  15.1849  15.1849  16.4988
    16.4988  17.8936  19.6129  19.6606  19.6606  21.2891  21.2891  22.5711
    23.3171  23.9977  23.9977

          k =-0.3000 0.3000 0.3000 (  920 PWs)   bands (ev):

   -62.1262 -30.9479 -30.9456 -30.9456   0.1939   0.2039   0.2039   0.2356
     0.2356   5.6231  10.3282  11.5553  11.5553  12.3509  12.3509  12.9025
    13.0589  13.0589  13.3616  13.5195  13.5195  15.3306  15.3306  16.4563
    16.4563  17.2530  19.0406  19.7122  19.7122  20.6534  20.6534  23.2864
    24.4140  25.0286  25.0286

          k =-0.4000 0.4000 0.4000 (  911 PWs)   bands (ev):

   -62.1258 -30.9488 -30.9456 -30.9456   0.1926   0.2058   0.2058   0.2400
     0.2400   6.4201   9.3149  11.6212  11.6212  12.5458  12.5458  12.6529
    12.8972  12.8972  13.2926  13.3081  13.3081  15.3732  15.3732  16.5308
    16.5308  16.7215  18.8093  19.6754  19.6754  20.1948  20.1948  23.4254
    26.3236  26.4533  26.4533

          k = 0.5000-0.5000-0.5000 (  912 PWs)   bands (ev):

   -62.1258 -30.9493 -30.9456 -30.9456   0.1921   0.2065   0.2065   0.2418
     0.2418   6.9535   8.6762  11.6534  11.6534  12.6165  12.7101  12.7101
    12.7461  12.7461  13.2234  13.2234  13.2490  15.3751  15.3751  16.5185
    16.5873  16.5873  18.7500  19.6079  19.6079  20.0648  20.0648  23.4596
    27.8839  27.8839  28.8231

          k = 0.0000 0.2000 0.0000 (  925 PWs)   bands (ev):

   -62.1264 -30.9454 -30.9454 -30.9453   0.1942   0.1993   0.1993   0.2269
     0.2288   4.6265  11.2639  11.5707  11.5707  11.9699  12.0211  13.2533
    13.3236  13.3236  13.8987  14.2423  14.6434  14.6434  15.0136  16.5337
    16.6489  18.5893  19.2961  19.2961  21.0450  21.3146  21.7319  21.7319
    22.4485  23.7112  24.4683

          k =-0.1000 0.3000 0.1000 (  921 PWs)   bands (ev):

   -62.1263 -30.9463 -30.9454 -30.9454   0.1926   0.2021   0.2026   0.2280
     0.2320   4.9387  11.0142  11.5742  11.6225  12.0789  12.1375  13.0776
    13.2850  13.3161  13.6692  13.9977  14.1027  14.7281  15.2730  16.3497
    16.5688  18.1036  18.9815  19.0217  20.7926  21.3072  21.5951  21.8194
    23.2019  24.1700  25.1269

          k =-0.2000 0.4000 0.2000 (  923 PWs)   bands (ev):

   -62.1263 -30.9479 -30.9457 -30.9455   0.1922   0.2042   0.2059   0.2310
     0.2365   5.4985  10.5536  11.4994  11.6731  12.2561  12.3069  12.7842
    13.1889  13.2114  13.3587  13.6346  13.6668  14.9513  15.4516  16.2533
    16.5038  17.4712  18.6514  18.7657  20.2038  21.0070  21.7611  22.5306
    23.9755  25.0940  25.8744

          k =-0.3000 0.5000 0.3000 (  911 PWs)   bands (ev):

   -62.1258 -30.9484 -30.9457 -30.9456   0.1925   0.2053   0.2079   0.2351
     0.2407   6.2488   9.7077  11.4470  11.7215  12.4240  12.4385  12.6441
    12.9812  13.0489  13.2291  13.3482  13.4910  15.1453  15.4162  16.3377
    16.5261  16.8450  18.4753  18.5879  19.5995  21.0021  21.5253  23.9094
    24.1418  26.8072  27.0436

          k = 0.6000-0.4000-0.6000 (  915 PWs)   bands (ev):

   -62.1259 -30.9492 -30.9459 -30.9458   0.1930   0.2055   0.2085   0.2386
     0.2423   6.9519   8.8775  11.4609  11.7218  12.4214  12.6005  12.7270
    12.8781  12.8821  13.2136  13.2179  13.3305  15.2866  15.3010  16.4289
    16.5602  16.5616  18.3331  18.6247  19.2060  21.1118  21.2484  24.1079
    25.7486  27.8857  28.2443

          k = 0.5000-0.3000-0.5000 (  916 PWs)   bands (ev):

   -62.1260 -30.9490 -30.9460 -30.9458   0.1936   0.2054   0.2077   0.2395
     0.2404   6.7608   9.1030  11.4994  11.6473  12.3878  12.6894  12.6917
    12.7526  12.9903  13.2001  13.2608  13.3696  15.1367  15.4534  16.4775
    16.5353  16.5857  18.2729  18.9800  19.0801  21.0379  21.2658  24.1033
    26.1062  26.1162  27.8648

          k = 0.4000-0.2000-0.4000 (  910 PWs)   bands (ev):

   -62.1258 -30.9480 -30.9458 -30.9454   0.1942   0.2049   0.2057   0.2360
     0.2376   5.9843  10.0411  11.5406  11.5596  12.3036  12.4970  12.7188
    12.8970  13.1263  13.2827  13.4254  13.5531  14.9612  15.6016  16.3122
    16.5313  17.0359  18.3647  19.1952  19.5104  21.0190  21.4000  23.8182
    24.4905  24.6160  27.4057

          k = 0.3000-0.1000-0.3000 (  920 PWs)   bands (ev):

   -62.1262 -30.9474 -30.9456 -30.9452   0.1946   0.2024   0.2035   0.2314
     0.2338   5.2866  10.7964  11.4633  11.6345  12.1571  12.2969  13.0364
    13.0593  13.2465  13.4517  13.6297  13.8788  14.7480  15.5893  16.2851
    16.5365  17.7135  18.5512  19.6292  19.8212  21.4137  21.4625  22.7452
    23.1841  24.1238  25.9781

          k = 0.2000 0.0000-0.2000 (  915 PWs)   bands (ev):

   -62.1260 -30.9459 -30.9452 -30.9450   0.1952   0.1992   0.2009   0.2285
     0.2301   4.8058  11.1938  11.4498  11.6158  12.0307  12.1165  13.2049
    13.3023  13.3053  13.8127  13.8495  14.4409  14.5489  15.3254  16.4659
    16.5920  18.2457  18.9780  19.7802  20.3699  21.2191  21.9274  22.1850
    22.4653  23.5761  24.6853

          k = 0.0000 0.4000 0.0000 (  913 PWs)   bands (ev):

   -62.1260 -30.9467 -30.9455 -30.9455   0.1880   0.2065   0.2065   0.2259
     0.2347   5.1574  10.7537  11.7569  11.7569  12.1034  12.1375  12.8072
    13.2985  13.2985  13.6471  14.2352  14.2570  14.2570  15.1686  16.0577
    16.5201  18.0614  18.4551  18.4551  20.1843  20.8824  22.4657  22.4657
    23.5554  25.6986  26.2846

          k =-0.1000 0.5000 0.1000 (  916 PWs)   bands (ev):

   -62.1261 -30.9476 -30.9459 -30.9458   0.1858   0.2097   0.2104   0.2256
     0.2387   5.6239  10.4435  11.7279  11.8588  12.2116  12.2297  12.5214
    13.2480  13.2565  13.5295  13.7961  13.8488  14.5204  15.3387  15.8247
    16.4464  17.6432  17.9693  18.0231  19.8052  21.0400  22.6059  22.9316
    24.9969  26.2024  27.0116

          k =-0.2000 0.6000 0.2000 (  906 PWs)   bands (ev):

   -62.1257 -30.9480 -30.9460 -30.9459   0.1869   0.2100   0.2128   0.2274
     0.2424   6.2921   9.9899  11.3632  11.9245  12.2063  12.3861  12.5504
    13.1448  13.1681  13.2128  13.4275  13.6516  14.8104  15.2968  15.8884
    16.4449  16.9392  17.7286  17.7639  19.6123  21.9509  22.5492  23.0105
    25.7209  27.3473  27.8461

          k = 0.7000-0.3000-0.7000 (  917 PWs)   bands (ev):

   -62.1260 -30.9489 -30.9465 -30.9461   0.1905   0.2078   0.2135   0.2305
     0.2438   7.0080   9.3376  11.0709  11.9168  12.1522  12.5193  12.7416
    12.9821  13.0235  13.2008  13.2177  13.4858  15.0836  15.0879  16.0483
    16.4961  16.5922  17.5389  17.6596  19.4441  22.4666  22.8182  23.5065
    25.7735  27.9759  28.1712

          k = 0.6000-0.2000-0.6000 (  922 PWs)   bands (ev):

   -62.1262 -30.9489 -30.9469 -30.9460   0.1951   0.2044   0.2126   0.2337
     0.2419   7.1676   9.2079  10.9835  11.8007  12.1320  12.6261  12.8074
    12.8700  12.9990  13.1876  13.2660  13.4041  14.8657  15.3572  16.2173
    16.4271  16.6004  17.3651  17.9713  19.3377  22.4540  22.5793  25.2928
    25.5776  26.0084  26.4441

          k = 0.5000-0.1000-0.5000 (  911 PWs)   bands (ev):

   -62.1258 -30.9481 -30.9466 -30.9456   0.1974   0.2027   0.2101   0.2356
     0.2378   6.5356   9.8943  11.0909  11.6375  12.1550  12.6750  12.7464
    12.7788  13.0041  13.3089  13.3191  13.5755  14.6620  15.6515  16.2182
    16.4875  16.8112  17.3936  18.5821  19.2921  22.4042  22.4301  24.0009
    24.2685  26.0542  27.6291

          k = 0.4000 0.0000-0.4000 (  919 PWs)   bands (ev):

   -62.1261 -30.9479 -30.9463 -30.9454   0.1956   0.2040   0.2062   0.2338
     0.2357   5.8266  10.4648  11.4752  11.5103  12.1577  12.4787  12.7597
    12.8941  13.1129  13.4112  13.4771  13.7840  14.5281  15.9281  15.9821
    16.5410  17.4257  17.6915  19.2808  19.3510  22.0728  22.2775  22.9594
    23.0259  25.3834  28.0211

          k = 0.0000 0.6000 0.0000 (  910 PWs)   bands (ev):

   -62.1258 -30.9479 -30.9460 -30.9460   0.1802   0.2152   0.2152   0.2213
     0.2419   5.9890  10.1605  12.0480  12.0480  12.0963  12.1914  12.2829
    13.2317  13.2317  13.6376  13.8755  13.8755  14.2263  15.2037  15.3761
    16.3453  17.4918  17.4918  17.6219  19.1582  20.6804  23.9709  23.9709
    25.7411  28.1093  28.3404

          k =-0.1000 0.7000 0.1000 (  915 PWs)   bands (ev):

   -62.1260 -30.9485 -30.9463 -30.9463   0.1788   0.2168   0.2183   0.2202
     0.2451   6.5518   9.8610  11.6287  11.9839  12.1777  12.3931  12.4021
    13.1442  13.1682  13.4398  13.5690  13.7247  14.4363  15.0734  15.3666
    16.3065  16.9524  17.1334  17.4138  19.2426  20.8598  24.3110  24.5525
    27.1441  28.4380  28.7723

          k = 0.8000-0.2000-0.8000 (  917 PWs)   bands (ev):

   -62.1260 -30.9488 -30.9467 -30.9464   0.1822   0.2149   0.2193   0.2216
     0.2462   7.1882   9.5890  10.9660  11.8764  12.2031  12.4900  12.6940
    13.0344  13.0883  13.2197  13.2903  13.6021  14.7694  14.8488  15.5866
    16.4001  16.6144  16.9457  17.2081  19.4568  21.7339  24.2162  24.5608
    27.6131  28.2115  28.5336

          k = 0.7000-0.1000-0.7000 (  921 PWs)   bands (ev):

   -62.1261 -30.9486 -30.9473 -30.9464   0.1890   0.2103   0.2181   0.2253
     0.2445   7.5111   9.5797  10.3994  11.8736  12.0592  12.5525  12.8856
    12.9883  13.0320  13.1012  13.3166  13.4230  14.6879  15.1064  15.7916
    16.4268  16.6037  16.9976  17.1484  19.4958  23.2909  24.0618  24.3116
    25.8868  26.1420  28.2453

          k = 0.6000 0.0000-0.6000 (  915 PWs)   bands (ev):

   -62.1259 -30.9482 -30.9474 -30.9459   0.1964   0.2039   0.2149   0.2308
     0.2410   7.1555   9.9020  10.3571  11.8291  11.9920  12.6292  12.8692
    12.9112  12.9609  13.1902  13.3056  13.4879  14.6014  15.4232  16.1264
    16.3065  16.8304  16.8367  17.7658  19.4313  23.6896  23.8465  24.2257
    24.5335  25.3398  27.7382

          k = 0.0000 0.8000 0.0000 (  914 PWs)   bands (ev):

   -62.1260 -30.9488 -30.9465 -30.9465   0.1737   0.2149   0.2221   0.2221
     0.2478   6.9853   9.5512  11.7504  11.7765  12.4030  12.4030  12.4430
    13.0670  13.0670  13.6396  13.6396  13.6659  14.2191  14.8137  15.1882
    16.1881  16.7822  16.7822  17.2381  18.8885  20.5970  25.8768  25.8768
    27.6295  29.3385  30.2716

          k = 0.9000-0.1000-0.9000 (  925 PWs)   bands (ev):

   -62.1263 -30.9494 -30.9468 -30.9467   0.1743   0.2142   0.2221   0.2233
     0.2488   7.4588   9.3256  11.3555  11.6443  12.4831  12.5258  12.6657
    12.9399  12.9699  13.4237  13.4574  13.6582  14.4161  14.6836  15.2957
    16.2338  16.5690  16.5893  17.1212  19.1161  20.7917  26.2264  26.3929
    28.0407  28.5283  29.5130

          k = 0.8000 0.0000-0.8000 (  922 PWs)   bands (ev):

   -62.1262 -30.9490 -30.9471 -30.9466   0.1804   0.2176   0.2180   0.2219
     0.2474   7.6718   9.4468  10.6798  11.6836  12.3597  12.5179  12.9059
    12.9220  12.9515  13.2504  13.2775  13.5442  14.6348  14.7687  15.4941
    16.4752  16.5405  16.5566  17.0118  19.4395  21.6667  25.9492  25.9988
    26.1758  26.6489  30.8691

          k = 0.0000-1.0000 0.0000 (  934 PWs)   bands (ev):

   -62.1266 -30.9498 -30.9468 -30.9468   0.1712   0.2118   0.2246   0.2246
     0.2500   7.6201   9.1224  11.5381  11.5941  12.5085  12.6978  12.6978
    12.8419  12.8419  13.5717  13.5717  13.6799  14.2164  14.6376  15.1763
    16.1235  16.5187  16.5187  17.1099  18.8541  20.5749  27.6465  27.6465
    28.4790  28.6185  28.6185

          k = 0.0000 0.4000 0.2000 (  922 PWs)   bands (ev):

   -62.1263 -30.9474 -30.9458 -30.9455   0.1909   0.2054   0.2057   0.2284
     0.2355   5.3294  10.7214  11.5844  11.7150  12.1309  12.2695  12.8002
    13.2282  13.2491  13.5105  13.7065  14.0597  14.4863  15.5328  16.1122
    16.5197  17.8708  18.2130  18.6552  20.7329  21.2606  21.2923  22.6818
    23.6771  25.0272  26.3749

          k =-0.1000 0.5000 0.3000 (  911 PWs)   bands (ev):

   -62.1258 -30.9478 -30.9461 -30.9455   0.1914   0.2060   0.2093   0.2306
     0.2391   5.9465  10.2802  11.4576  11.6774  12.2063  12.4409  12.6237
    13.0327  13.1429  13.3191  13.5210  13.6977  14.6605  15.6455  16.0297
    16.5035  17.2112  17.8474  18.2980  20.2274  21.3196  22.0794  22.9963
    24.5992  25.6675  27.9393

          k = 0.8000-0.4000-0.6000 (  909 PWs)   bands (ev):

   -62.1257 -30.9485 -30.9463 -30.9457   0.1935   0.2046   0.2117   0.2334
     0.2417   6.6957   9.5358  11.2186  11.7484  12.2233  12.5765  12.7018
    12.8774  13.0567  13.2025  13.3083  13.5030  14.8901  15.4193  16.2286
    16.5056  16.6598  17.6813  18.0159  19.8280  21.3526  22.7084  23.8002
    25.2246  26.7084  27.8053

          k = 0.7000-0.3000-0.5000 (  916 PWs)   bands (ev):

   -62.1260 -30.9492 -30.9464 -30.9458   0.1949   0.2034   0.2124   0.2347
     0.2425   7.1671   9.0186  11.1563  11.7890  12.2117  12.6505  12.7053
    12.9150  12.9744  13.2053  13.2357  13.3712  15.0478  15.2490  16.2921
    16.4513  16.5697  17.7165  17.7849  19.6954  21.3680  22.7257  25.1820
    25.5895  25.7465  28.5050

          k = 0.0000 0.6000 0.2000 (  919 PWs)   bands (ev):

   -62.1261 -30.9480 -30.9466 -30.9460   0.1841   0.2115   0.2147   0.2244
     0.2420   6.1434  10.1479  11.6469  11.8251  12.1789  12.3761  12.4501
    13.1692  13.2061  13.3193  13.6515  13.7496  14.4575  15.4874  15.5403
    16.4045  17.2448  17.3887  17.6926  19.8331  21.0809  22.6575  24.0920
    25.7575  27.1599  28.2846

          k = 0.9000-0.3000-0.7000 (  916 PWs)   bands (ev):

   -62.1260 -30.9485 -30.9468 -30.9460   0.1866   0.2097   0.2176   0.2252
     0.2441   6.8109   9.8062  11.0986  11.8390  12.1430  12.5000  12.6452
    13.0218  13.0893  13.1739  13.4372  13.5987  14.6368  15.1658  15.8164
    16.4339  16.7088  17.1081  17.4595  20.0180  21.8510  22.5078  24.5792
    26.6211  27.7295  28.0069

          k = 0.8000-0.2000-0.6000 (  919 PWs)   bands (ev):

   -62.1261 -30.9487 -30.9472 -30.9460   0.1920   0.2054   0.2184   0.2272
     0.2441   7.3660   9.4468  10.7041  11.8237  12.0962  12.5834  12.7690
    12.9547  13.0262  13.2068  13.2536  13.4588  14.8305  14.9719  16.0014
    16.3989  16.5708  17.0737  17.2514  20.0455  22.3207  23.3898  24.5461
    25.6654  27.1241  28.6052

          k = 0.7000-0.1000-0.5000 (  914 PWs)   bands (ev):

   -62.1259 -30.9484 -30.9472 -30.9459   0.1975   0.2006   0.2171   0.2294
     0.2424   7.2180   9.6365  10.6258  11.7852  12.0614  12.6579  12.7197
    12.9457  13.0246  13.1606  13.3365  13.4568  14.6745  15.2250  16.1868
    16.2888  16.6526  16.9884  17.4958  20.1017  22.1852  23.5910  24.5545
    25.3934  26.2780  27.5528

          k = 0.6000 0.0000-0.4000 (  915 PWs)   bands (ev):

   -62.1259 -30.9482 -30.9468 -30.9458   0.1941   0.2039   0.2138   0.2305
     0.2406   6.5749  10.0414  11.0017  11.6864  12.1235  12.6036  12.6936
    12.8803  13.0320  13.2409  13.4518  13.6016  14.5563  15.5545  16.0458
    16.4779  16.8729  17.1349  17.9151  20.2314  21.9892  22.2206  24.2775
    24.7902  26.9306  27.6778

          k = 1.0000-0.2000-0.8000 (  921 PWs)   bands (ev):

   -62.1262 -30.9489 -30.9468 -30.9465   0.1785   0.2161   0.2191   0.2219
     0.2469   7.0962   9.6141  11.3416  11.7141  12.3197  12.4820  12.5889
    13.0629  13.0666  13.2401  13.5414  13.6344  14.4508  14.8507  15.4728
    16.3062  16.6764  16.7734  17.2270  19.5020  20.9708  24.2958  25.9815
    27.5360  28.4452  29.5372

          k = 0.9000-0.1000-0.7000 (  918 PWs)   bands (ev):

   -62.1260 -30.9488 -30.9471 -30.9463   0.1834   0.2129   0.2197   0.2230
     0.2466   7.5679   9.5535  10.7321  11.5974  12.3291  12.5355  12.7980
    12.9635  12.9960  13.1331  13.3721  13.5449  14.6400  14.6961  15.6915
    16.3997  16.5206  16.6470  17.0543  19.9395  21.7353  24.0265  25.7586
    26.5386  28.3157  29.3117

          k = 0.8000 0.0000-0.6000 (  918 PWs)   bands (ev):

   -62.1260 -30.9481 -30.9477 -30.9463   0.1913   0.2062   0.2213   0.2239
     0.2446   7.6065   9.9104  10.0894  11.6768  12.1666  12.5805  12.8077
    12.9887  13.0477  13.1034  13.3457  13.4188  14.6214  14.9223  15.9126
    16.3307  16.6348  16.7788  17.0364  20.1014  23.2944  23.6673  23.9181
    26.3712  26.4980  29.2542

          k = 0.0000-1.0000 0.2000 (  926 PWs)   bands (ev):

   -62.1263 -30.9494 -30.9469 -30.9467   0.1763   0.2148   0.2195   0.2246
     0.2487   7.6647   9.2852  11.2049  11.4794  12.5134  12.5653  12.7912
    12.8827  12.8963  13.2526  13.4785  13.6178  14.4496  14.6362  15.4347
    16.2898  16.4636  16.5460  17.0631  19.4412  20.9386  25.9531  26.2230
    27.7874  28.6557  29.0346

          k = 1.0000-0.2000-0.6000 (  918 PWs)   bands (ev):

   -62.1260 -30.9486 -30.9473 -30.9461   0.1910   0.2052   0.2216   0.2239
     0.2446   7.3667   9.7763  10.6005  11.6164  12.1913  12.6021  12.7244
    12.9375  13.0781  13.0950  13.4251  13.4796  14.5770  14.9026  15.9893
    16.3341  16.5912  16.7279  17.1808  20.8449  22.1071  22.3836  25.4754
    26.2133  27.1951  29.0424

          k = 0.9000-0.1000-0.5000 (  920 PWs)   bands (ev):

   -62.1261 -30.9483 -30.9476 -30.9463   0.1976   0.1987   0.2230   0.2234
     0.2447   7.6429   9.8425  10.2624  11.5127  12.2412  12.6511  12.6770
    12.9861  13.0196  13.1135  13.3445  13.4553  14.6721  14.7086  16.1108
    16.1920  16.5802  16.7078  17.0048  21.0823  22.3049  23.4387  23.5850
    26.6278  28.2141  29.2359

          k = 0.0000-1.0000 0.4000 (  912 PWs)   bands (ev):

   -62.1258 -30.9485 -30.9473 -30.9462   0.1896   0.2061   0.2204   0.2247
     0.2459   7.7419   9.7532  10.4528  11.3523  12.3789  12.5795  12.7414
    12.9664  12.9897  13.0463  13.3950  13.5005  14.5825  14.6247  15.9316
    16.2833  16.5168  16.5891  16.9558  20.9499  22.0630  23.5569  23.8939
    28.1711  28.6664  28.7238

     the Fermi energy is    14.8751 ev

!    total energy              =  -559.02038214 ryd
     estimated scf accuracy    <     0.00000002 ryd

     band energy sum           =     2.81491505 ryd
     one-electron contribution =  -181.39280544 ryd
     hartree contribution      =   143.62690305 ryd
     xc contribution           =  -132.57452200 ryd
     ewald contribution        =  -388.67995776 ryd

     total magnetization       =     4.12 Bohr mag/cell
     absolute magnetization    =     4.50 Bohr mag/cell

     convergence has been achieved


     entering subroutine stress ...

          total   stress  (ryd/bohr**3)                  (kbar)     P=    0.00
  -0.00000003   0.00000000   0.00000000          0.00      0.00      0.00
   0.00000000  -0.00000003   0.00000000          0.00      0.00      0.00
   0.00000000   0.00000000  -0.00000003          0.00      0.00      0.00


     Writing file nmg_t+0.0.save for program phonon
 
     PWSCF        : 16m42.24s CPU time

     init_run     :    26.24s CPU
     electrons    :   939.46s CPU
     stress       :    36.24s CPU
 
     electrons    :   939.46s CPU
     c_bands      :   630.92s CPU (      14 calls,  45.066 s avg)
     sum_band     :   247.09s CPU (      14 calls,  17.649 s avg)
     v_of_rho     :    23.34s CPU (      29 calls,   0.805 s avg)
     newd         :    36.83s CPU (      15 calls,   2.455 s avg)
     mix_rho      :     3.39s CPU (      14 calls,   0.242 s avg)
 
     c_bands      :   630.92s CPU (      14 calls,  45.066 s avg)
     init_us_2    :    11.60s CPU (    2820 calls,   0.004 s avg)
     cegterg      :   615.68s CPU (    1316 calls,   0.468 s avg)
 
     sum_band     :   247.09s CPU (      14 calls,  17.649 s avg)
     becsum       :     0.31s CPU (    1316 calls,   0.000 s avg)
     addusdens    :    38.10s CPU (      14 calls,   2.721 s avg)
 
     wfcrot       :    14.50s CPU (      94 calls,   0.154 s avg)
     cegterg      :   615.68s CPU (    1316 calls,   0.468 s avg)
     h_psi        :   395.09s CPU (    4156 calls,   0.095 s avg)
     g_psi        :     4.35s CPU (    2746 calls,   0.002 s avg)
     overlap      :    60.66s CPU (    2746 calls,   0.022 s avg)
     cdiaghg      :    52.86s CPU (    2840 calls,   0.019 s avg)
     update       :    29.85s CPU (    2746 calls,   0.011 s avg)
     last         :    11.32s CPU (    1316 calls,   0.009 s avg)
 
     h_psi        :   395.09s CPU (    4156 calls,   0.095 s avg)
     init         :     3.40s CPU (    4156 calls,   0.001 s avg)
     firstfft     :   161.61s CPU (  114482 calls,   0.001 s avg)
     secondfft    :   157.17s CPU (  114482 calls,   0.001 s avg)
     add_vuspsi   :    21.58s CPU (    4156 calls,   0.005 s avg)
     s_psi        :    23.28s CPU (    4156 calls,   0.006 s avg)
 
     General routines
     ccalbec      :    52.01s CPU (    5566 calls,   0.009 s avg)
     cft3         :    14.03s CPU (     779 calls,   0.018 s avg)
     cft3s        :   376.83s CPU (  275082 calls,   0.001 s avg)
     interpolate  :     1.52s CPU (      58 calls,   0.026 s avg)
     davcio       :     5.33s CPU (    4136 calls,   0.001 s avg)
 
