
     Program PWSCF     v.2.1.1  starts ...
     Today is  1Mar2005 at 12:50:18 

     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)   =      10.9901  a.u.
     unit-cell volume          =     330.1946 (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)=  10.990117  celldm(2)=   1.000000  celldm(3)=   0.995000
     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  0.497500 )  
               a(2) = (  0.500000  0.500000  0.000000 )  
               a(3) = (  0.000000  0.500000  0.497500 )  

     reciprocal axes: (cart. coord. in units 2 pi/a_0)
               b(1) = (  1.000000 -1.000000  1.005025 )  
               b(2) = (  1.000000  1.000000 -1.005025 )  
               b(3) = ( -1.000000  1.000000  1.005025 )  


     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

     16 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   0.2487500  )
         3           Mn  tau(  3) = (   0.5000000   0.5000000   0.4975000  )
         4           Ni  tau(  4) = (   0.7500000   0.7500000   0.7462500  )

     number of k points=  204 (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   0.1005025), wk =   0.0080000
        k(   3) = (  -0.2000000   0.2000000   0.2010050), wk =   0.0080000
        k(   4) = (  -0.3000000   0.3000000   0.3015075), wk =   0.0080000
        k(   5) = (  -0.4000000   0.4000000   0.4020101), wk =   0.0080000
        k(   6) = (   0.5000000  -0.5000000  -0.5025126), wk =   0.0040000
        k(   7) = (   0.0000000   0.2000000   0.0000000), wk =   0.0040000
        k(   8) = (  -0.1000000   0.3000000   0.1005025), wk =   0.0160000
        k(   9) = (  -0.2000000   0.4000000   0.2010050), wk =   0.0160000
        k(  10) = (  -0.3000000   0.5000000   0.3015075), wk =   0.0160000
        k(  11) = (   0.6000000  -0.4000000  -0.6030151), wk =   0.0160000
        k(  12) = (   0.5000000  -0.3000000  -0.5025126), wk =   0.0160000
        k(  13) = (   0.4000000  -0.2000000  -0.4020101), wk =   0.0160000
        k(  14) = (   0.3000000  -0.1000000  -0.3015075), wk =   0.0160000
        k(  15) = (   0.2000000   0.0000000  -0.2010050), wk =   0.0080000
        k(  16) = (   0.0000000   0.4000000   0.0000000), wk =   0.0040000
        k(  17) = (  -0.1000000   0.5000000   0.1005025), wk =   0.0160000
        k(  18) = (  -0.2000000   0.6000000   0.2010050), wk =   0.0160000
        k(  19) = (   0.7000000  -0.3000000  -0.7035176), wk =   0.0160000
        k(  20) = (   0.6000000  -0.2000000  -0.6030151), wk =   0.0160000
        k(  21) = (   0.5000000  -0.1000000  -0.5025126), wk =   0.0160000
        k(  22) = (   0.4000000   0.0000000  -0.4020101), wk =   0.0080000
        k(  23) = (   0.0000000   0.6000000   0.0000000), wk =   0.0040000
        k(  24) = (  -0.1000000   0.7000000   0.1005025), wk =   0.0160000
        k(  25) = (   0.8000000  -0.2000000  -0.8040201), wk =   0.0160000
        k(  26) = (   0.7000000  -0.1000000  -0.7035176), wk =   0.0160000
        k(  27) = (   0.6000000   0.0000000  -0.6030151), wk =   0.0080000
        k(  28) = (   0.0000000   0.8000000   0.0000000), wk =   0.0040000
        k(  29) = (   0.9000000  -0.1000000  -0.9045226), wk =   0.0160000
        k(  30) = (   0.8000000   0.0000000  -0.8040201), wk =   0.0080000
        k(  31) = (   0.0000000  -1.0000000   0.0000000), wk =   0.0020000
        k(  32) = (   0.0000000   0.0000000   0.2010050), wk =   0.0020000
        k(  33) = (  -0.1000000   0.1000000   0.3015075), wk =   0.0080000
        k(  34) = (  -0.2000000   0.2000000   0.4020101), wk =   0.0080000
        k(  35) = (  -0.3000000   0.3000000   0.5025126), wk =   0.0080000
        k(  36) = (   0.6000000  -0.6000000  -0.4020101), wk =   0.0080000
        k(  37) = (   0.5000000  -0.5000000  -0.3015075), wk =   0.0080000
        k(  38) = (   0.4000000  -0.4000000  -0.2010050), wk =   0.0080000
        k(  39) = (   0.3000000  -0.3000000  -0.1005025), wk =   0.0080000
        k(  40) = (   0.2000000  -0.2000000   0.0000000), wk =   0.0040000
        k(  41) = (   0.0000000   0.4000000   0.2010050), wk =   0.0080000
        k(  42) = (  -0.1000000   0.5000000   0.3015075), wk =   0.0160000
        k(  43) = (   0.8000000  -0.4000000  -0.6030151), wk =   0.0160000
        k(  44) = (   0.7000000  -0.3000000  -0.5025126), wk =   0.0080000
        k(  45) = (   0.2000000   0.4000000   0.0000000), wk =   0.0080000
        k(  46) = (   0.0000000   0.6000000   0.2010050), wk =   0.0080000
        k(  47) = (   0.9000000  -0.3000000  -0.7035176), wk =   0.0160000
        k(  48) = (   0.8000000  -0.2000000  -0.6030151), wk =   0.0160000
        k(  49) = (   0.7000000  -0.1000000  -0.5025126), wk =   0.0160000
        k(  50) = (   0.6000000   0.0000000  -0.4020101), wk =   0.0080000
        k(  51) = (   0.3000000   0.5000000  -0.1005025), wk =   0.0160000
        k(  52) = (   0.2000000   0.6000000   0.0000000), wk =   0.0080000
        k(  53) = (   1.0000000  -0.2000000  -0.8040201), wk =   0.0080000
        k(  54) = (   0.9000000  -0.1000000  -0.7035176), wk =   0.0160000
        k(  55) = (   0.8000000   0.0000000  -0.6030151), wk =   0.0080000
        k(  56) = (  -0.6000000  -0.4000000   0.8040201), wk =   0.0160000
        k(  57) = (  -0.7000000  -0.3000000   0.9045226), wk =   0.0160000
        k(  58) = (  -0.8000000  -0.2000000   1.0050251), wk =   0.0080000
        k(  59) = (   0.0000000  -1.0000000   0.2010050), wk =   0.0040000
        k(  60) = (  -0.5000000  -0.3000000   0.7035176), wk =   0.0160000
        k(  61) = (  -0.6000000  -0.2000000   0.8040201), wk =   0.0160000
        k(  62) = (  -0.7000000  -0.1000000   0.9045226), wk =   0.0160000
        k(  63) = (   0.2000000  -1.0000000   0.0000000), wk =   0.0040000
        k(  64) = (  -0.4000000  -0.2000000   0.6030151), wk =   0.0160000
        k(  65) = (  -0.5000000  -0.1000000   0.7035176), wk =   0.0160000
        k(  66) = (  -0.6000000   0.0000000   0.8040201), wk =   0.0080000
        k(  67) = (  -0.3000000  -0.1000000   0.5025126), wk =   0.0160000
        k(  68) = (  -0.4000000   0.0000000   0.6030151), wk =   0.0080000
        k(  69) = (  -0.2000000   0.0000000   0.4020101), wk =   0.0080000
        k(  70) = (   0.0000000   0.0000000   0.4020101), wk =   0.0020000
        k(  71) = (  -0.1000000   0.1000000   0.5025126), wk =   0.0080000
        k(  72) = (  -0.2000000   0.2000000   0.6030151), wk =   0.0080000
        k(  73) = (   0.7000000  -0.7000000  -0.3015075), wk =   0.0080000
        k(  74) = (   0.6000000  -0.6000000  -0.2010050), wk =   0.0080000
        k(  75) = (   0.5000000  -0.5000000  -0.1005025), wk =   0.0080000
        k(  76) = (   0.4000000  -0.4000000   0.0000000), wk =   0.0040000
        k(  77) = (   1.0000000  -0.2000000  -0.6030151), wk =   0.0080000
        k(  78) = (   0.9000000  -0.1000000  -0.5025126), wk =   0.0080000
        k(  79) = (  -0.6000000  -0.4000000   1.0050251), wk =   0.0080000
        k(  80) = (   0.0000000  -1.0000000   0.4020101), wk =   0.0040000
        k(  81) = (  -0.5000000  -0.3000000   0.9045226), wk =   0.0160000
        k(  82) = (  -0.6000000  -0.2000000   1.0050251), wk =   0.0080000
        k(  83) = (  -0.4000000  -0.2000000   0.8040201), wk =   0.0160000
        k(  84) = (  -0.5000000  -0.1000000   0.9045226), wk =   0.0160000
        k(  85) = (   0.4000000  -1.0000000   0.0000000), wk =   0.0040000
        k(  86) = (  -0.3000000  -0.1000000   0.7035176), wk =   0.0160000
        k(  87) = (  -0.4000000   0.0000000   0.8040201), wk =   0.0080000
        k(  88) = (  -0.2000000   0.0000000   0.6030151), wk =   0.0080000
        k(  89) = (   0.0000000   0.0000000   0.6030151), wk =   0.0020000
        k(  90) = (  -0.1000000   0.1000000   0.7035176), wk =   0.0080000
        k(  91) = (   0.8000000  -0.8000000  -0.2010050), wk =   0.0080000
        k(  92) = (   0.7000000  -0.7000000  -0.1005025), wk =   0.0080000
        k(  93) = (   0.6000000  -0.6000000   0.0000000), wk =   0.0040000
        k(  94) = (  -0.4000000  -0.2000000   1.0050251), wk =   0.0080000
        k(  95) = (  -0.3000000  -0.1000000   0.9045226), wk =   0.0160000
        k(  96) = (   0.6000000  -1.0000000   0.0000000), wk =   0.0040000
        k(  97) = (  -0.2000000   0.0000000   0.8040201), wk =   0.0080000
        k(  98) = (   0.0000000   0.0000000   0.8040201), wk =   0.0020000
        k(  99) = (   0.9000000  -0.9000000  -0.1005025), wk =   0.0080000
        k( 100) = (   0.8000000  -0.8000000   0.0000000), wk =   0.0040000
        k( 101) = (   0.8000000  -1.0000000   0.0000000), wk =   0.0040000
        k( 102) = (   0.0000000   0.0000000  -1.0050251), wk =   0.0010000
        k( 103) = (   0.0000000   0.0000000   0.0000000), wk =   0.0010000
        k( 104) = (  -0.1000000   0.1000000   0.1005025), wk =   0.0080000
        k( 105) = (  -0.2000000   0.2000000   0.2010050), wk =   0.0080000
        k( 106) = (  -0.3000000   0.3000000   0.3015075), wk =   0.0080000
        k( 107) = (  -0.4000000   0.4000000   0.4020101), wk =   0.0080000
        k( 108) = (   0.5000000  -0.5000000  -0.5025126), wk =   0.0040000
        k( 109) = (   0.0000000   0.2000000   0.0000000), wk =   0.0040000
        k( 110) = (  -0.1000000   0.3000000   0.1005025), wk =   0.0160000
        k( 111) = (  -0.2000000   0.4000000   0.2010050), wk =   0.0160000
        k( 112) = (  -0.3000000   0.5000000   0.3015075), wk =   0.0160000
        k( 113) = (   0.6000000  -0.4000000  -0.6030151), wk =   0.0160000
        k( 114) = (   0.5000000  -0.3000000  -0.5025126), wk =   0.0160000
        k( 115) = (   0.4000000  -0.2000000  -0.4020101), wk =   0.0160000
        k( 116) = (   0.3000000  -0.1000000  -0.3015075), wk =   0.0160000
        k( 117) = (   0.2000000   0.0000000  -0.2010050), wk =   0.0080000
        k( 118) = (   0.0000000   0.4000000   0.0000000), wk =   0.0040000
        k( 119) = (  -0.1000000   0.5000000   0.1005025), wk =   0.0160000
        k( 120) = (  -0.2000000   0.6000000   0.2010050), wk =   0.0160000
        k( 121) = (   0.7000000  -0.3000000  -0.7035176), wk =   0.0160000
        k( 122) = (   0.6000000  -0.2000000  -0.6030151), wk =   0.0160000
        k( 123) = (   0.5000000  -0.1000000  -0.5025126), wk =   0.0160000
        k( 124) = (   0.4000000   0.0000000  -0.4020101), wk =   0.0080000
        k( 125) = (   0.0000000   0.6000000   0.0000000), wk =   0.0040000
        k( 126) = (  -0.1000000   0.7000000   0.1005025), wk =   0.0160000
        k( 127) = (   0.8000000  -0.2000000  -0.8040201), wk =   0.0160000
        k( 128) = (   0.7000000  -0.1000000  -0.7035176), wk =   0.0160000
        k( 129) = (   0.6000000   0.0000000  -0.6030151), wk =   0.0080000
        k( 130) = (   0.0000000   0.8000000   0.0000000), wk =   0.0040000
        k( 131) = (   0.9000000  -0.1000000  -0.9045226), wk =   0.0160000
        k( 132) = (   0.8000000   0.0000000  -0.8040201), wk =   0.0080000
        k( 133) = (   0.0000000  -1.0000000   0.0000000), wk =   0.0020000
        k( 134) = (   0.0000000   0.0000000   0.2010050), wk =   0.0020000
        k( 135) = (  -0.1000000   0.1000000   0.3015075), wk =   0.0080000
        k( 136) = (  -0.2000000   0.2000000   0.4020101), wk =   0.0080000
        k( 137) = (  -0.3000000   0.3000000   0.5025126), wk =   0.0080000
        k( 138) = (   0.6000000  -0.6000000  -0.4020101), wk =   0.0080000
        k( 139) = (   0.5000000  -0.5000000  -0.3015075), wk =   0.0080000
        k( 140) = (   0.4000000  -0.4000000  -0.2010050), wk =   0.0080000
        k( 141) = (   0.3000000  -0.3000000  -0.1005025), wk =   0.0080000
        k( 142) = (   0.2000000  -0.2000000   0.0000000), wk =   0.0040000
        k( 143) = (   0.0000000   0.4000000   0.2010050), wk =   0.0080000
        k( 144) = (  -0.1000000   0.5000000   0.3015075), wk =   0.0160000
        k( 145) = (   0.8000000  -0.4000000  -0.6030151), wk =   0.0160000
        k( 146) = (   0.7000000  -0.3000000  -0.5025126), wk =   0.0080000
        k( 147) = (   0.2000000   0.4000000   0.0000000), wk =   0.0080000
        k( 148) = (   0.0000000   0.6000000   0.2010050), wk =   0.0080000
        k( 149) = (   0.9000000  -0.3000000  -0.7035176), wk =   0.0160000
        k( 150) = (   0.8000000  -0.2000000  -0.6030151), wk =   0.0160000
        k( 151) = (   0.7000000  -0.1000000  -0.5025126), wk =   0.0160000
        k( 152) = (   0.6000000   0.0000000  -0.4020101), wk =   0.0080000
        k( 153) = (   0.3000000   0.5000000  -0.1005025), wk =   0.0160000
        k( 154) = (   0.2000000   0.6000000   0.0000000), wk =   0.0080000
        k( 155) = (   1.0000000  -0.2000000  -0.8040201), wk =   0.0080000
        k( 156) = (   0.9000000  -0.1000000  -0.7035176), wk =   0.0160000
        k( 157) = (   0.8000000   0.0000000  -0.6030151), wk =   0.0080000
        k( 158) = (  -0.6000000  -0.4000000   0.8040201), wk =   0.0160000
        k( 159) = (  -0.7000000  -0.3000000   0.9045226), wk =   0.0160000
        k( 160) = (  -0.8000000  -0.2000000   1.0050251), wk =   0.0080000
        k( 161) = (   0.0000000  -1.0000000   0.2010050), wk =   0.0040000
        k( 162) = (  -0.5000000  -0.3000000   0.7035176), wk =   0.0160000
        k( 163) = (  -0.6000000  -0.2000000   0.8040201), wk =   0.0160000
        k( 164) = (  -0.7000000  -0.1000000   0.9045226), wk =   0.0160000
        k( 165) = (   0.2000000  -1.0000000   0.0000000), wk =   0.0040000
        k( 166) = (  -0.4000000  -0.2000000   0.6030151), wk =   0.0160000
        k( 167) = (  -0.5000000  -0.1000000   0.7035176), wk =   0.0160000
        k( 168) = (  -0.6000000   0.0000000   0.8040201), wk =   0.0080000
        k( 169) = (  -0.3000000  -0.1000000   0.5025126), wk =   0.0160000
        k( 170) = (  -0.4000000   0.0000000   0.6030151), wk =   0.0080000
        k( 171) = (  -0.2000000   0.0000000   0.4020101), wk =   0.0080000
        k( 172) = (   0.0000000   0.0000000   0.4020101), wk =   0.0020000
        k( 173) = (  -0.1000000   0.1000000   0.5025126), wk =   0.0080000
        k( 174) = (  -0.2000000   0.2000000   0.6030151), wk =   0.0080000
        k( 175) = (   0.7000000  -0.7000000  -0.3015075), wk =   0.0080000
        k( 176) = (   0.6000000  -0.6000000  -0.2010050), wk =   0.0080000
        k( 177) = (   0.5000000  -0.5000000  -0.1005025), wk =   0.0080000
        k( 178) = (   0.4000000  -0.4000000   0.0000000), wk =   0.0040000
        k( 179) = (   1.0000000  -0.2000000  -0.6030151), wk =   0.0080000
        k( 180) = (   0.9000000  -0.1000000  -0.5025126), wk =   0.0080000
        k( 181) = (  -0.6000000  -0.4000000   1.0050251), wk =   0.0080000
        k( 182) = (   0.0000000  -1.0000000   0.4020101), wk =   0.0040000
        k( 183) = (  -0.5000000  -0.3000000   0.9045226), wk =   0.0160000
        k( 184) = (  -0.6000000  -0.2000000   1.0050251), wk =   0.0080000
        k( 185) = (  -0.4000000  -0.2000000   0.8040201), wk =   0.0160000
        k( 186) = (  -0.5000000  -0.1000000   0.9045226), wk =   0.0160000
        k( 187) = (   0.4000000  -1.0000000   0.0000000), wk =   0.0040000
        k( 188) = (  -0.3000000  -0.1000000   0.7035176), wk =   0.0160000
        k( 189) = (  -0.4000000   0.0000000   0.8040201), wk =   0.0080000
        k( 190) = (  -0.2000000   0.0000000   0.6030151), wk =   0.0080000
        k( 191) = (   0.0000000   0.0000000   0.6030151), wk =   0.0020000
        k( 192) = (  -0.1000000   0.1000000   0.7035176), wk =   0.0080000
        k( 193) = (   0.8000000  -0.8000000  -0.2010050), wk =   0.0080000
        k( 194) = (   0.7000000  -0.7000000  -0.1005025), wk =   0.0080000
        k( 195) = (   0.6000000  -0.6000000   0.0000000), wk =   0.0040000
        k( 196) = (  -0.4000000  -0.2000000   1.0050251), wk =   0.0080000
        k( 197) = (  -0.3000000  -0.1000000   0.9045226), wk =   0.0160000
        k( 198) = (   0.6000000  -1.0000000   0.0000000), wk =   0.0040000
        k( 199) = (  -0.2000000   0.0000000   0.8040201), wk =   0.0080000
        k( 200) = (   0.0000000   0.0000000   0.8040201), wk =   0.0020000
        k( 201) = (   0.9000000  -0.9000000  -0.1005025), wk =   0.0080000
        k( 202) = (   0.8000000  -0.8000000   0.0000000), wk =   0.0040000
        k( 203) = (   0.8000000  -1.0000000   0.0000000), wk =   0.0040000
        k( 204) = (   0.0000000   0.0000000  -1.0050251), wk =   0.0010000

     G cutoff =  881.1247  (  27229 G-vectors)     FFT grid: ( 45, 45, 45)
     G cutoff =  367.1353  (   7375 G-vectors)  smooth grid: ( 27, 27, 27)

     nbndx  =   140  nbnd   =    35  natomwfc =    34  npwx   =     934
     nelec  =   48.00 nkb   =    72  ngl    =    1661
  warning: negative or imaginary core charge    -0.000039    0.000000

     Initial potential from superposition of free atoms

     npt with |zeta| > 1:    20364, npt tot    91125,     22.35 %
     Starting wfc are atomic +   1 random wfc

     total cpu time spent up to now is     45.09 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    191.94 secs

     total energy              =  -554.17224420 ryd
     estimated scf accuracy    <    14.75992033 ryd

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

     iteration #  2     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  1.00E-02,  avg # of iterations =  2.3

     total cpu time spent up to now is    335.03 secs

     total energy              =  -555.12034318 ryd
     estimated scf accuracy    <    11.76869852 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    471.48 secs

     total energy              =  -558.71211880 ryd
     estimated scf accuracy    <     3.16625046 ryd

     total magnetization       =     7.29 Bohr mag/cell
     absolute magnetization    =     7.40 Bohr mag/cell

     iteration #  4     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  6.60E-03,  avg # of iterations =  1.6

     total cpu time spent up to now is    596.52 secs

     total energy              =  -557.92174766 ryd
     estimated scf accuracy    <     1.50994626 ryd

     total magnetization       =     4.07 Bohr mag/cell
     absolute magnetization    =     4.42 Bohr mag/cell

     iteration #  5     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  3.15E-03,  avg # of iterations =  2.0

     total cpu time spent up to now is    730.41 secs

     total energy              =  -558.54440244 ryd
     estimated scf accuracy    <     0.56336810 ryd

     total magnetization       =     5.00 Bohr mag/cell
     absolute magnetization    =     5.38 Bohr mag/cell

     iteration #  6     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  1.17E-03,  avg # of iterations =  2.0

     total cpu time spent up to now is    867.05 secs

     total energy              =  -558.80110561 ryd
     estimated scf accuracy    <     0.27607101 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 =  5.75E-04,  avg # of iterations =  2.1

     total cpu time spent up to now is   1002.03 secs

     total energy              =  -558.93796074 ryd
     estimated scf accuracy    <     0.09365500 ryd

     total magnetization       =     4.58 Bohr mag/cell
     absolute magnetization    =     4.97 Bohr mag/cell

     iteration #  8     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  1.95E-04,  avg # of iterations =  2.0

     total cpu time spent up to now is   1132.75 secs

     total energy              =  -559.01923097 ryd
     estimated scf accuracy    <     0.00182181 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 =  3.80E-06,  avg # of iterations =  2.6

     total cpu time spent up to now is   1274.50 secs

     total energy              =  -559.01348598 ryd
     estimated scf accuracy    <     0.00827045 ryd

     total magnetization       =     4.09 Bohr mag/cell
     absolute magnetization    =     4.48 Bohr mag/cell

     iteration # 10     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  3.80E-06,  avg # of iterations =  2.0

     total cpu time spent up to now is   1407.72 secs

     total energy              =  -559.01990538 ryd
     estimated scf accuracy    <     0.00063092 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 =  1.31E-06,  avg # of iterations =  1.7

     total cpu time spent up to now is   1532.00 secs

     total energy              =  -559.02031105 ryd
     estimated scf accuracy    <     0.00010581 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 =  2.20E-07,  avg # of iterations =  1.7

     total cpu time spent up to now is   1659.35 secs

     total energy              =  -559.02035925 ryd
     estimated scf accuracy    <     0.00000312 ryd

     total magnetization       =     4.11 Bohr mag/cell
     absolute magnetization    =     4.49 Bohr mag/cell

     iteration # 13     ecut=    30.00 ryd     beta=0.40
     Davidson diagonalization (with overlap)
     ethr =  6.51E-09,  avg # of iterations =  1.4

     total cpu time spent up to now is   1782.67 secs

     total energy              =  -559.02037014 ryd
     estimated scf accuracy    <     0.00000045 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 =  9.33E-10,  avg # of iterations =  1.4

     total cpu time spent up to now is   1905.69 secs

     End of self-consistent calculation

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


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

   -66.3376 -35.0491 -35.0491 -35.0475   0.2100   0.2100   0.2104   0.2348
     0.2356   4.3618  10.9684  10.9710  11.2695  11.2695  11.2796  11.7185
    11.7235  11.7235  13.5727  13.5936  13.6340  13.6340  13.6368  13.7034
    13.7078  19.2844  19.4674  19.4674  19.4775  20.7784  20.8069  20.8069
    22.5159  22.7574  22.7574

          k =-0.1000 0.1000 0.1005 (  917 PWs)   bands (ev):

   -66.3375 -35.0490 -35.0488 -35.0478   0.2098   0.2114   0.2116   0.2360
     0.2369   4.4994  10.8892  10.8921  11.1669  11.4067  11.4114  11.7039
    11.7173  11.7195  13.4924  13.5149  13.5195  13.5673  13.5846  13.7688
    13.7694  18.0187  19.2391  19.2418  19.6373  20.9627  20.9727  21.1629
    22.6743  22.7169  22.7807

          k =-0.2000 0.2000 0.2010 (  917 PWs)   bands (ev):

   -66.3375 -35.0498 -35.0489 -35.0481   0.2090   0.2144   0.2145   0.2396
     0.2406   4.9058  10.8010  10.8028  10.8270  11.5664  11.5730  11.5926
    11.7943  11.8003  13.2080  13.3232  13.3296  13.5469  13.5623  13.8103
    13.8128  16.5723  18.8992  18.9031  19.1768  20.7217  20.7881  22.0807
    22.9286  23.2368  23.2536

          k =-0.3000 0.3000 0.3015 (  916 PWs)   bands (ev):

   -66.3375 -35.0508 -35.0492 -35.0484   0.2076   0.2173   0.2174   0.2450
     0.2461   5.5564  10.0731  10.7607  10.7644  11.5103  11.5654  11.5775
    12.0478  12.0539  13.0330  13.1079  13.1159  13.5307  13.5438  13.8073
    13.8147  15.3520  18.6975  18.7081  18.8762  20.0891  20.1587  22.3389
    24.1791  24.4350  24.4721

          k =-0.4000 0.4000 0.4020 (  913 PWs)   bands (ev):

   -66.3374 -35.0515 -35.0493 -35.0485   0.2064   0.2192   0.2192   0.2498
     0.2511   6.3806   9.0434  10.7520  10.7568  11.5509  11.5535  11.5663
    12.2764  12.2779  12.9309  12.9389  12.9864  13.5204  13.5331  13.7770
    13.7909  14.4910  18.6841  18.6990  18.7360  19.4969  19.5549  22.3449
    25.9848  26.0487  26.0626

          k = 0.5000-0.5000-0.5025 (  912 PWs)   bands (ev):

   -66.3374 -35.0518 -35.0493 -35.0486   0.2059   0.2197   0.2198   0.2518
     0.2531   6.9725   8.3585  10.7520  10.7574  11.5490  11.5653  11.6001
    12.3654  12.3671  12.8622  12.8694  12.9869  13.5162  13.5293  13.7583
    13.7758  14.1601  18.6822  18.7689  18.8026  19.1972  19.2458  22.3392
    27.6011  27.6556  28.0354

          k = 0.0000 0.2000 0.0000 (  921 PWs)   bands (ev):

   -66.3376 -35.0490 -35.0490 -35.0479   0.2077   0.2128   0.2131   0.2359
     0.2374   4.5444  10.6881  11.0326  11.3235  11.3335  11.4000  11.6301
    11.7559  11.7605  13.4535  13.5178  13.5228  13.5232  13.6056  13.7020
    13.8084  18.2467  18.5913  18.5983  20.2652  20.5818  21.2972  21.3887
    21.8089  23.5712  23.6343

          k =-0.1000 0.3000 0.1005 (  918 PWs)   bands (ev):

   -66.3375 -35.0497 -35.0491 -35.0480   0.2062   0.2157   0.2162   0.2374
     0.2407   4.8596  10.4685  11.0119  11.1932  11.4719  11.5164  11.6342
    11.7500  11.8305  13.2794  13.3314  13.3548  13.4860  13.6048  13.7190
    13.8521  17.0245  18.0041  18.2293  20.0557  20.7371  20.9580  21.6248
    22.7773  23.7443  24.3276

          k =-0.2000 0.4000 0.2010 (  920 PWs)   bands (ev):

   -66.3375 -35.0508 -35.0492 -35.0483   0.2059   0.2178   0.2193   0.2409
     0.2458   5.4265  10.1597  10.8610  10.9564  11.4405  11.5543  11.6644
    11.9144  12.0460  13.0453  13.1006  13.2119  13.4690  13.5840  13.7259
    13.8686  15.7150  17.6108  17.8521  19.4811  20.5930  21.4405  21.8853
    23.2152  24.7783  25.2399

          k =-0.3000 0.5000 0.3015 (  913 PWs)   bands (ev):

   -66.3374 -35.0513 -35.0494 -35.0485   0.2062   0.2187   0.2212   0.2455
     0.2505   6.1935   9.4144  10.6477  10.9035  11.4811  11.5599  11.6144
    12.1727  12.2917  12.8969  12.9073  13.1047  13.4752  13.5606  13.7293
    13.8290  14.7116  17.4641  17.5101  19.0616  20.4485  21.0019  23.0988
    23.5245  26.4907  26.6016

          k = 0.6000-0.4000-0.6030 (  913 PWs)   bands (ev):

   -66.3374 -35.0517 -35.0495 -35.0486   0.2069   0.2188   0.2217   0.2492
     0.2525   6.9465   8.5716  10.6389  10.8396  11.5349  11.5517  11.6145
    12.3536  12.4065  12.8155  12.8346  13.0254  13.4925  13.5440  13.7500
    13.7750  14.1819  17.2134  17.5961  18.8778  20.4618  20.5886  23.1126
    25.3515  27.5577  27.8903

          k = 0.5000-0.3000-0.5025 (  915 PWs)   bands (ev):

   -66.3374 -35.0516 -35.0496 -35.0486   0.2075   0.2187   0.2211   0.2498
     0.2509   6.7378   8.8074  10.7033  10.7658  11.5162  11.5414  11.6276
    12.3427  12.3621  12.8227  12.8674  13.0110  13.5091  13.5173  13.7002
    13.8525  14.3011  17.0440  17.9895  18.8857  20.3256  20.6159  23.1438
    25.6484  25.7632  27.5122

          k = 0.4000-0.2000-0.4020 (  914 PWs)   bands (ev):

   -66.3374 -35.0510 -35.0495 -35.0485   0.2079   0.2183   0.2192   0.2458
     0.2479   5.9257   9.7385  10.7040  10.8397  11.4648  11.5535  11.6143
    12.1414  12.1702  12.8999  13.0324  13.0758  13.4880  13.5401  13.6933
    13.9101  15.0195  17.0601  18.5546  19.0525  20.3452  20.8367  23.0652
    23.9308  24.1087  27.0497

          k = 0.3000-0.1000-0.3015 (  919 PWs)   bands (ev):

   -66.3375 -35.0503 -35.0492 -35.0483   0.2083   0.2160   0.2170   0.2408
     0.2435   5.2147  10.4330  10.6895  11.1138  11.4726  11.5585  11.6003
    11.8822  11.9091  13.1006  13.1907  13.2320  13.4996  13.5631  13.7047
    13.9156  16.1500  17.2739  19.1036  19.3881  20.7588  21.0602  22.1532
    22.4746  23.5712  25.4940

          k = 0.2000 0.0000-0.2010 (  913 PWs)   bands (ev):

   -66.3374 -35.0492 -35.0490 -35.0479   0.2089   0.2129   0.2144   0.2373
     0.2393   4.7270  10.7499  10.7707  11.2685  11.3814  11.6222  11.6242
    11.6635  11.7847  13.3457  13.3772  13.4047  13.5434  13.5771  13.7142
    13.8652  17.4101  17.8376  19.4460  19.8027  20.9923  21.1853  21.4376
    21.8018  23.2054  24.0178

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

   -66.3374 -35.0501 -35.0492 -35.0482   0.2016   0.2201   0.2201   0.2354
     0.2432   5.0790  10.1691  11.2134  11.3587  11.4519  11.4619  11.5542
    11.9017  11.9048  13.2505  13.2579  13.2870  13.3450  13.6320  13.6954
    13.8195  17.1473  17.2107  17.2181  19.3969  19.6709  22.3571  22.4823
    23.1643  25.4589  25.5020

          k =-0.1000 0.5000 0.1005 (  913 PWs)   bands (ev):

   -66.3374 -35.0508 -35.0494 -35.0484   0.1994   0.2232   0.2239   0.2353
     0.2475   5.5489   9.9075  11.1021  11.2434  11.4083  11.5474  11.7481
    11.9320  12.0941  13.0371  13.0489  13.2430  13.2967  13.6252  13.6937
    13.8176  16.0175  16.6421  16.6455  19.0363  20.0202  22.4431  22.8075
    24.4978  25.8004  26.3260

          k =-0.2000 0.6000 0.2010 (  909 PWs)   bands (ev):

   -66.3373 -35.0513 -35.0496 -35.0486   0.2005   0.2233   0.2261   0.2374
     0.2517   6.2243   9.5814  10.6690  11.1923  11.4085  11.5741  11.7812
    12.0365  12.3559  12.8292  12.8781  13.2156  13.3243  13.5926  13.7065
    13.7964  14.9203  16.1191  16.3390  18.8436  21.2512  22.2466  22.6526
    24.9308  27.0955  27.3854

          k = 0.7000-0.3000-0.7035 (  914 PWs)   bands (ev):

   -66.3374 -35.0515 -35.0499 -35.0488   0.2042   0.2211   0.2268   0.2406
     0.2535   6.9610   9.0270  10.3999  11.0835  11.4113  11.5608  11.7562
    12.2426  12.4911  12.7202  12.8061  13.1485  13.3908  13.5362  13.7363
    13.7911  14.2350  15.7766  16.3569  18.7519  22.0792  22.2910  22.9509
    24.9550  27.5945  27.8444

          k = 0.6000-0.2000-0.6030 (  920 PWs)   bands (ev):

   -66.3375 -35.0515 -35.0502 -35.0489   0.2088   0.2178   0.2260   0.2437
     0.2519   7.1404   8.8887  10.3846  10.9322  11.3790  11.5304  11.7964
    12.3612  12.4793  12.7219  12.7727  13.0321  13.4158  13.4506  13.7508
    13.9201  14.1571  15.6157  16.7322  18.7634  21.9373  22.0290  24.8480
    24.9568  25.5665  25.8830

          k = 0.5000-0.1000-0.5025 (  911 PWs)   bands (ev):

   -66.3374 -35.0509 -35.0501 -35.0486   0.2111   0.2161   0.2236   0.2455
     0.2478   6.4851   9.5273  10.5655  10.7817  11.3538  11.5240  11.8247
    12.2409  12.3044  12.7471  12.8802  13.0412  13.3665  13.5027  13.7093
    13.9893  14.7526  15.6407  17.4171  18.8819  21.8051  21.9943  23.5189
    23.7452  25.3277  27.2369

          k = 0.4000 0.0000-0.4020 (  915 PWs)   bands (ev):

   -66.3374 -35.0506 -35.0498 -35.0484   0.2092   0.2174   0.2198   0.2434
     0.2456   5.7630  10.0563  10.6873  10.9937  11.3453  11.5559  11.7192
    12.0195  12.0828  12.8852  13.0725  13.1058  13.4092  13.5439  13.6780
    13.9812  15.7649  15.8960  18.2855  19.1221  21.7324  21.9853  22.1057
    22.3215  24.7758  27.6876

          k = 0.0000 0.6000 0.0000 (  914 PWs)   bands (ev):

   -66.3374 -35.0511 -35.0497 -35.0486   0.1937   0.2285   0.2287   0.2307
     0.2505   5.9120   9.6419  10.9992  11.4942  11.5755  11.5850  11.5966
    12.2246  12.2253  12.9610  12.9749  13.0732  13.2439  13.6383  13.6871
    13.7368  15.6537  15.8929  15.8964  18.5291  19.3270  23.8464  23.9820
    25.3680  27.6131  27.6394

          k =-0.1000 0.7000 0.1005 (  912 PWs)   bands (ev):

   -66.3374 -35.0515 -35.0498 -35.0487   0.1923   0.2281   0.2314   0.2317
     0.2538   6.4703   9.4314  10.7555  11.4235  11.5587  11.6170  11.7440
    12.2776  12.4296  12.8124  12.8618  13.0609  13.2718  13.6144  13.6966
    13.7051  15.0171  15.0608  15.4147  18.5719  19.6576  24.1389  24.3578
    26.6808  28.0605  28.2875

          k = 0.8000-0.2000-0.8040 (  919 PWs)   bands (ev):

   -66.3375 -35.0517 -35.0501 -35.0490   0.1958   0.2274   0.2317   0.2325
     0.2554   7.0980   9.2783  10.3501  11.2692  11.4598  11.6044  11.8503
    12.2510  12.4219  12.8003  12.8158  13.2064  13.2725  13.5149  13.7053
    13.8176  14.2599  14.7450  15.2749  18.6245  20.9029  23.9487  24.1465
    27.0726  27.8307  28.0963

          k = 0.7000-0.1000-0.7035 (  919 PWs)   bands (ev):

   -66.3375 -35.0514 -35.0504 -35.0491   0.2026   0.2236   0.2315   0.2348
     0.2540   7.4312   9.2930   9.9575  11.1993  11.2378  11.5435  11.9374
    12.2902  12.4995  12.6919  12.8086  13.1084  13.3346  13.3484  13.8422
    13.9917  14.0244  14.6313  15.6067  18.6574  22.6929  23.7010  23.8034
    25.5401  25.7570  27.5092

          k = 0.6000 0.0000-0.6030 (  915 PWs)   bands (ev):

   -66.3374 -35.0509 -35.0507 -35.0489   0.2099   0.2174   0.2284   0.2404
     0.2508   7.1027   9.4668  10.0412  10.9769  11.2483  11.5132  12.0055
    12.2460  12.5014  12.6856  12.7520  13.0072  13.2883  13.4299  13.8045
    14.0328  14.4590  14.7388  16.3856  18.7357  23.2130  23.5894  23.5963
    24.1041  24.8531  27.0151

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

   -66.3375 -35.0517 -35.0501 -35.0490   0.1872   0.2238   0.2351   0.2355
     0.2564   6.8802   9.2298  10.7079  11.3341  11.6613  11.6698  11.8372
    12.5562  12.5640  12.7372  12.9380  12.9455  13.3024  13.6025  13.6053
    13.6809  14.4771  14.7504  14.7521  18.2479  19.1622  25.6679  25.8087
    27.4045  28.7106  29.7827

          k = 0.9000-0.1000-0.9045 (  925 PWs)   bands (ev):

   -66.3376 -35.0521 -35.0502 -35.0491   0.1879   0.2230   0.2353   0.2365
     0.2576   7.3143   9.1401  10.5311  11.1126  11.6538  11.7373  11.9286
    12.2875  12.5383  12.8740  12.9883  13.1179  13.3472  13.5212  13.6139
    13.8158  14.1761  14.2674  14.4089  18.4182  19.5099  25.9714  26.1064
    27.8515  28.2350  29.1317

          k = 0.8000 0.0000-0.8040 (  926 PWs)   bands (ev):

   -66.3376 -35.0518 -35.0503 -35.0492   0.1940   0.2269   0.2309   0.2352
     0.2564   7.5256   9.2976  10.1256  11.0584  11.5908  11.6385  11.8462
    12.3046  12.4643  12.8412  12.8741  13.1985  13.2176  13.4173  13.7353
    13.9831  14.0469  14.2562  14.6834  18.5703  20.7958  25.4045  25.7662
    25.8443  26.4042  29.2921

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

   -66.3377 -35.0523 -35.0501 -35.0492   0.1846   0.2204   0.2375   0.2381
     0.2586   7.4354   9.0255  10.5985  11.0368  11.6957  11.7036  12.0876
    12.4892  12.5385  12.5544  13.3634  13.3715  13.3788  13.5055  13.5577
    13.6783  14.0424  14.0537  14.1409  18.1824  19.1142  27.3404  27.4777
    28.3506  28.4173  28.5130

          k = 0.0000 0.0000 0.2010 (  925 PWs)   bands (ev):

   -66.3376 -35.0491 -35.0491 -35.0480   0.2080   0.2129   0.2129   0.2355
     0.2380   4.5463  10.6967  11.0315  11.3259  11.3259  11.4012  11.6263
    11.7574  11.7574  13.4498  13.5196  13.5196  13.5341  13.5896  13.7052
    13.8057  18.2499  18.5991  18.5991  20.2280  20.6526  21.3145  21.3145
    21.8563  23.6505  23.6505

          k =-0.1000 0.1000 0.3015 (  921 PWs)   bands (ev):

   -66.3375 -35.0494 -35.0492 -35.0484   0.2064   0.2157   0.2162   0.2369
     0.2414   4.8633  10.4771  11.0106  11.1891  11.4760  11.5135  11.6350
    11.7475  11.8242  13.2755  13.3332  13.3467  13.4960  13.5908  13.7204
    13.8491  17.0220  18.0051  18.2579  20.0770  20.7351  20.9664  21.5768
    22.7479  23.7599  24.3370

          k =-0.2000 0.2000 0.4020 (  918 PWs)   bands (ev):

   -66.3375 -35.0505 -35.0493 -35.0485   0.2060   0.2178   0.2193   0.2403
     0.2466   5.4319  10.1627  10.8586  10.9538  11.4380  11.5649  11.6569
    11.9202  12.0377  13.0422  13.1038  13.2011  13.4760  13.5723  13.7241
    13.8680  15.7120  17.6051  17.9037  19.4823  20.6085  21.3872  21.8448
    23.1941  24.8149  25.2755

          k =-0.3000 0.3000 0.5025 (  909 PWs)   bands (ev):

   -66.3373 -35.0511 -35.0493 -35.0486   0.2063   0.2188   0.2212   0.2448
     0.2514   6.1999   9.4093  10.6515  10.8997  11.4783  11.5729  11.6057
    12.1788  12.2885  12.8926  12.9098  13.0969  13.4810  13.5504  13.7225
    13.8328  14.7108  17.4508  17.5709  19.0283  20.4731  20.9562  23.1002
    23.4657  26.5450  26.6430

          k = 0.6000-0.6000-0.4020 (  913 PWs)   bands (ev):

   -66.3374 -35.0517 -35.0495 -35.0487   0.2069   0.2189   0.2218   0.2483
     0.2534   6.9503   8.5684  10.6439  10.8354  11.5309  11.5650  11.6064
    12.3572  12.4072  12.8215  12.8250  13.0232  13.4995  13.5370  13.7599
    13.7621  14.1819  17.2691  17.5702  18.8285  20.4951  20.5500  23.1383
    25.2749  27.5915  27.9111

          k = 0.5000-0.5000-0.3015 (  913 PWs)   bands (ev):

   -66.3374 -35.0516 -35.0494 -35.0488   0.2075   0.2187   0.2211   0.2490
     0.2515   6.7328   8.8135  10.7079  10.7623  11.5133  11.5533  11.6192
    12.3416  12.3626  12.8143  12.8756  13.0131  13.5109  13.5224  13.7099
    13.8424  14.2995  17.0845  17.9522  18.8333  20.3073  20.6387  23.1922
    25.6884  25.7625  27.4230

          k = 0.4000-0.4000-0.2010 (  914 PWs)   bands (ev):

   -66.3374 -35.0511 -35.0493 -35.0486   0.2079   0.2182   0.2191   0.2467
     0.2467   5.9204   9.7431  10.7017  10.8441  11.4643  11.5631  11.6064
    12.1382  12.1725  12.8928  13.0417  13.0801  13.4849  13.5485  13.7012
    13.9043  15.0205  17.0865  18.5094  19.0016  20.3343  20.8533  23.1254
    23.9548  24.1241  26.9955

          k = 0.3000-0.3000-0.1005 (  920 PWs)   bands (ev):

   -66.3375 -35.0505 -35.0490 -35.0483   0.2082   0.2160   0.2170   0.2415
     0.2425   5.2110  10.4297  10.6875  11.1213  11.4734  11.5571  11.6057
    11.8786  11.9109  13.0979  13.1943  13.2395  13.4921  13.5733  13.7093
    13.9129  16.1550  17.2880  19.0621  19.3435  20.7477  21.0719  22.1622
    22.4860  23.6491  25.4631

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

   -66.3375 -35.0495 -35.0488 -35.0479   0.2088   0.2127   0.2146   0.2381
     0.2385   4.7251  10.7487  10.7627  11.2723  11.3901  11.6180  11.6256
    11.6674  11.7825  13.3494  13.3738  13.4097  13.5346  13.5888  13.7156
    13.8642  17.4209  17.8368  19.4197  19.7750  21.0478  21.1945  21.3859
    21.7675  23.2945  23.9936

          k = 0.0000 0.4000 0.2010 (  924 PWs)   bands (ev):

   -66.3376 -35.0505 -35.0495 -35.0483   0.2044   0.2189   0.2193   0.2382
     0.2444   5.2548  10.2026  10.9489  11.2843  11.3526  11.5407  11.7462
    11.7796  11.9549  13.1072  13.1641  13.2514  13.4122  13.6017  13.6885
    13.8939  16.5021  16.7076  17.8098  20.0667  20.5005  21.0336  22.4074
    23.0721  24.4872  25.8784

          k =-0.1000 0.5000 0.3015 (  917 PWs)   bands (ev):

   -66.3375 -35.0509 -35.0497 -35.0485   0.2051   0.2194   0.2227   0.2407
     0.2484   5.8804   9.8603  10.7881  10.9753  11.3854  11.6098  11.7079
    11.9966  12.1942  12.8748  12.9991  13.1598  13.3803  13.5733  13.6806
    13.9180  15.3424  16.3012  17.1947  19.7889  20.7401  21.5853  22.5275
    23.9716  25.0677  27.5853

          k = 0.8000-0.4000-0.6030 (  914 PWs)   bands (ev):

   -66.3374 -35.0514 -35.0499 -35.0486   0.2072   0.2180   0.2249   0.2439
     0.2512   6.6482   9.2141  10.5300  10.9259  11.4059  11.5972  11.7019
    12.2327  12.4180  12.7611  12.8374  13.0904  13.4112  13.5296  13.7025
    13.8843  14.4590  16.1828  16.6923  19.5499  20.5576  22.3288  23.2640
    24.3967  26.2791  27.4426

          k = 0.7000-0.3000-0.5025 (  918 PWs)   bands (ev):

   -66.3375 -35.0517 -35.0500 -35.0486   0.2087   0.2168   0.2256   0.2453
     0.2522   7.1528   8.7027  10.4684  10.9220  11.4183  11.6036  11.6834
    12.3591  12.4834  12.7425  12.7749  13.0497  13.4710  13.4894  13.7333
    13.8321  14.1245  16.2264  16.4281  19.4684  20.4965  22.2911  24.3695
    25.1273  25.3101  28.2231

          k = 0.2000 0.4000 0.0000 (  920 PWs)   bands (ev):

   -66.3375 -35.0506 -35.0492 -35.0483   0.2044   0.2189   0.2193   0.2382
     0.2442   5.2529  10.2027  10.9430  11.2900  11.3545  11.5457  11.7491
    11.7787  11.9505  13.1005  13.1735  13.2542  13.4098  13.6035  13.6932
    13.8908  16.5126  16.7095  17.8040  20.0463  20.4908  20.9523  22.4978
    23.0410  24.5636  25.8570

          k = 0.0000 0.6000 0.2010 (  917 PWs)   bands (ev):

   -66.3375 -35.0512 -35.0500 -35.0485   0.1977   0.2249   0.2280   0.2343
     0.2509   6.0710   9.6619  10.8748  11.2199  11.4356  11.6355  11.8168
    12.0229  12.2745  12.8405  12.9406  13.2116  13.2226  13.6135  13.6789
    13.8245  15.5478  15.6290  15.9307  19.2566  20.0368  22.4155  23.9649
    25.1523  26.6019  27.9415

          k = 0.9000-0.3000-0.7035 (  915 PWs)   bands (ev):

   -66.3374 -35.0514 -35.0501 -35.0487   0.2002   0.2230   0.2307   0.2352
     0.2533   6.7408   9.4192  10.4777  11.1641  11.3795  11.6571  11.8534
    12.0948  12.4745  12.7377  12.8151  13.1826  13.2489  13.5677  13.6990
    13.8518  14.6021  15.3416  15.4238  19.4077  21.1088  22.0545  24.3183
    25.9922  27.2324  27.6466

          k = 0.8000-0.2000-0.6030 (  919 PWs)   bands (ev):

   -66.3375 -35.0515 -35.0505 -35.0487   0.2057   0.2189   0.2314   0.2372
     0.2535   7.3034   9.1374  10.1782  11.1074  11.3055  11.6245  11.8313
    12.2281  12.5629  12.6913  12.7599  13.1321  13.3616  13.4681  13.7579
    13.8701  14.1193  15.0882  15.4304  19.4707  21.7152  22.8496  24.1997
    25.2785  26.3483  28.2395

          k = 0.7000-0.1000-0.5025 (  916 PWs)   bands (ev):

   -66.3374 -35.0512 -35.0506 -35.0487   0.2112   0.2141   0.2303   0.2395
     0.2518   7.1624   9.2814  10.1731  10.9989  11.2890  11.5822  11.9019
    12.2097  12.5959  12.6902  12.7140  13.0583  13.3117  13.4730  13.7764
    13.9665  14.2698  15.0033  15.8085  19.6422  21.4971  23.1761  24.1384
    24.9684  25.7754  26.8623

          k = 0.6000 0.0000-0.4020 (  915 PWs)   bands (ev):

   -66.3374 -35.0511 -35.0502 -35.0486   0.2077   0.2173   0.2272   0.2408
     0.2499   6.5152   9.6143  10.5191  10.8906  11.3344  11.5888  11.9169
    12.0587  12.3966  12.7198  12.8625  13.0857  13.2952  13.5337  13.7121
    13.9729  15.0105  15.1621  16.4310  19.9258  21.2560  21.7047  24.0716
    24.1159  26.2357  27.2817

          k = 0.3000 0.5000-0.1005 (  915 PWs)   bands (ev):

   -66.3374 -35.0510 -35.0494 -35.0487   0.2051   0.2193   0.2229   0.2405
     0.2484   5.8767   9.8624  10.7891  10.9782  11.3858  11.6174  11.7049
    11.9982  12.1912  12.8655  13.0093  13.1643  13.3791  13.5756  13.6882
    13.9131  15.3450  16.3147  17.1867  19.7437  20.6664  21.5731  22.5680
    24.0271  25.1302  27.5523

          k = 0.2000 0.6000 0.0000 (  913 PWs)   bands (ev):

   -66.3374 -35.0512 -35.0496 -35.0488   0.1977   0.2246   0.2283   0.2341
     0.2509   6.0692   9.6626  10.8786  11.2162  11.4361  11.6432  11.8155
    12.0246  12.2734  12.8295  12.9536  13.2085  13.2246  13.6133  13.6869
    13.8194  15.5526  15.6316  15.9270  19.2438  20.0245  22.3039  24.0836
    25.1531  26.6527  27.9201

          k = 1.0000-0.2000-0.8040 (  915 PWs)   bands (ev):

   -66.3374 -35.0517 -35.0501 -35.0488   0.1920   0.2265   0.2314   0.2349
     0.2557   6.9969   9.2910  10.5535  11.2318  11.6186  11.6913  11.7573
    12.3942  12.3988  12.7960  12.9082  13.0488  13.2732  13.6092  13.6233
    13.7978  14.5659  14.6226  14.6983  18.9111  19.7917  24.0039  25.7982
    27.1425  28.0869  29.0384

          k = 0.9000-0.1000-0.7035 (  919 PWs)   bands (ev):

   -66.3375 -35.0517 -35.0505 -35.0488   0.1970   0.2261   0.2293   0.2359
     0.2557   7.4446   9.3293  10.1869  11.0396  11.5391  11.6593  11.8235
    12.3167  12.3869  12.7276  12.9566  13.1808  13.2653  13.5136  13.6956
    13.9334  14.0949  14.3683  14.5977  19.2369  20.9000  23.5901  25.4276
    26.2430  27.9660  28.7968

          k = 0.8000 0.0000-0.6030 (  918 PWs)   bands (ev):

   -66.3374 -35.0512 -35.0508 -35.0488   0.2049   0.2199   0.2334   0.2343
     0.2538   7.5081   9.6617   9.6706  11.0341  11.3414  11.5912  11.9502
    12.1890  12.5171  12.7113  12.8325  13.0993  13.2829  13.4406  13.8530
    13.9783  14.0560  14.4089  15.0405  19.4162  22.7212  23.0490  23.5989
    25.9436  26.2176  28.5059

          k =-0.6000-0.4000 0.8040 (  911 PWs)   bands (ev):

   -66.3374 -35.0514 -35.0495 -35.0489   0.2072   0.2179   0.2251   0.2432
     0.2517   6.6437   9.2200  10.5337  10.9265  11.4063  11.6073  11.6945
    12.2341  12.4168  12.7507  12.8461  13.0936  13.4147  13.5333  13.7098
    13.8758  14.4570  16.2056  16.6840  19.4840  20.4966  22.3794  23.2437
    24.4675  26.3254  27.3422

          k =-0.7000-0.3000 0.9045 (  915 PWs)   bands (ev):

   -66.3374 -35.0515 -35.0497 -35.0491   0.2002   0.2227   0.2311   0.2348
     0.2535   6.7376   9.4214  10.4829  11.1657  11.3797  11.6646  11.8520
    12.0961  12.4724  12.7289  12.8249  13.1841  13.2508  13.5678  13.7069
    13.8457  14.6010  15.3463  15.4220  19.3812  21.0906  21.9512  24.4088
    26.0383  27.2412  27.5709

          k =-0.8000-0.2000 1.0050 (  919 PWs)   bands (ev):

   -66.3375 -35.0518 -35.0500 -35.0491   0.1920   0.2262   0.2310   0.2354
     0.2559   6.9954   9.2909  10.5570  11.2317  11.6204  11.6995  11.7533
    12.3955  12.3962  12.8099  12.9004  13.0465  13.2744  13.6062  13.6284
    13.7966  14.5624  14.6209  14.7016  18.9000  19.7802  23.8828  25.9305
    27.1345  27.9977  29.0737

          k = 0.0000-1.0000 0.2010 (  922 PWs)   bands (ev):

   -66.3375 -35.0520 -35.0502 -35.0490   0.1898   0.2237   0.2330   0.2375
     0.2575   7.4956   9.1622  10.4349  10.9849  11.6938  11.7127  11.9026
    12.2153  12.5276  12.8601  12.9634  13.2853  13.3039  13.5221  13.6548
    13.9737  14.0090  14.1019  14.1686  18.8206  19.7177  25.5050  26.0792
    27.4775  28.4619  28.8196

          k =-0.5000-0.3000 0.7035 (  916 PWs)   bands (ev):

   -66.3374 -35.0517 -35.0497 -35.0490   0.2087   0.2167   0.2258   0.2442
     0.2532   7.1533   8.7044  10.4721  10.9213  11.4205  11.6134  11.6755
    12.3637  12.4838  12.7423  12.7704  13.0493  13.4734  13.4936  13.7350
    13.8223  14.1229  16.2416  16.4435  19.3903  20.4433  22.3454  24.4198
    25.0677  25.2586  28.2363

          k =-0.6000-0.2000 0.8040 (  915 PWs)   bands (ev):

   -66.3374 -35.0515 -35.0499 -35.0492   0.2057   0.2186   0.2318   0.2364
     0.2541   7.3019   9.1407  10.1807  11.1131  11.3059  11.6296  11.8316
    12.2313  12.5573  12.6911  12.7632  13.1331  13.3668  13.4657  13.7584
    13.8628  14.1176  15.0838  15.4480  19.4286  21.6230  22.8312  24.2754
    25.1917  26.3881  28.3563

          k =-0.7000-0.1000 0.9045 (  923 PWs)   bands (ev):

   -66.3375 -35.0518 -35.0501 -35.0493   0.1970   0.2256   0.2288   0.2365
     0.2560   7.4430   9.3279  10.1924  11.0444  11.5428  11.6631  11.8260
    12.3189  12.3795  12.7410  12.9489  13.1826  13.2724  13.5101  13.6918
    13.9271  14.0951  14.3661  14.6031  19.2139  20.8827  23.4784  25.3267
    26.3508  28.0388  28.8922

          k = 0.2000-1.0000 0.0000 (  924 PWs)   bands (ev):

   -66.3375 -35.0521 -35.0501 -35.0492   0.1898   0.2234   0.2325   0.2381
     0.2576   7.4947   9.1607  10.4384  10.9875  11.6896  11.7210  11.9056
    12.2095  12.5360  12.8670  12.9516  13.2972  13.3076  13.5215  13.6467
    13.9627  14.0090  14.1086  14.1674  18.8102  19.7066  25.3784  25.9606
    27.6111  28.6166  28.8577

          k =-0.4000-0.2000 0.6030 (  912 PWs)   bands (ev):

   -66.3374 -35.0511 -35.0498 -35.0489   0.2072   0.2180   0.2251   0.2428
     0.2523   6.6549   9.2103  10.5332  10.9237  11.4086  11.6026  11.6982
    12.2413  12.4148  12.7610  12.8310  13.0873  13.4125  13.5268  13.7003
    13.8802  14.4575  16.1803  16.7470  19.4700  20.5046  22.3743  23.1951
    24.4285  26.3660  27.4229

          k =-0.5000-0.1000 0.7035 (  917 PWs)   bands (ev):

   -66.3374 -35.0511 -35.0504 -35.0491   0.2111   0.2140   0.2307   0.2385
     0.2527   7.1673   9.2809  10.1714  11.0041  11.2914  11.5845  11.9044
    12.2176  12.5905  12.6864  12.7144  13.0583  13.3123  13.4691  13.7727
    13.9633  14.2676  14.9993  15.8446  19.5822  21.4174  23.0969  24.2108
    24.9522  25.8441  26.9271

          k =-0.6000 0.0000 0.8040 (  917 PWs)   bands (ev):

   -66.3374 -35.0512 -35.0503 -35.0493   0.2049   0.2196   0.2326   0.2348
     0.2544   7.5093   9.6665   9.6666  11.0432  11.3436  11.5932  11.9538
    12.1955  12.5076  12.7219  12.8255  13.1020  13.2866  13.4332  13.8458
    13.9739  14.0559  14.4072  15.0584  19.3776  22.6971  22.9534  23.5027
    26.0614  26.3066  28.5523

          k =-0.3000-0.1000 0.5025 (  914 PWs)   bands (ev):

   -66.3374 -35.0506 -35.0497 -35.0487   0.2051   0.2195   0.2229   0.2400
     0.2493   5.8871   9.8608  10.7873  10.9727  11.3878  11.6217  11.6973
    12.0043  12.1852  12.8729  12.9968  13.1528  13.3837  13.5660  13.6810
    13.9138  15.3396  16.2991  17.2676  19.7243  20.6786  21.5299  22.5590
    24.0049  25.1260  27.6053

          k =-0.4000 0.0000 0.6030 (  912 PWs)   bands (ev):

   -66.3374 -35.0506 -35.0502 -35.0489   0.2077   0.2174   0.2275   0.2398
     0.2509   6.5224   9.6136  10.5154  10.8925  11.3380  11.5917  11.9159
    12.0687  12.3888  12.7212  12.8545  13.0842  13.2965  13.5284  13.7105
    13.9693  15.0069  15.1587  16.4893  19.8467  21.1924  21.6327  24.1284
    24.1961  26.2807  27.2600

          k =-0.2000 0.0000 0.4020 (  917 PWs)   bands (ev):

   -66.3375 -35.0499 -35.0494 -35.0486   0.2046   0.2190   0.2194   0.2377
     0.2451   5.2603  10.2086  10.9432  11.2848  11.3552  11.5485  11.7361
    11.7862  11.9436  13.1047  13.1632  13.2420  13.4197  13.5909  13.6906
    13.8891  16.5027  16.7038  17.8788  20.0517  20.4504  20.9695  22.4350
    23.0678  24.5269  25.8962

          k = 0.0000 0.0000 0.4020 (  913 PWs)   bands (ev):

   -66.3374 -35.0492 -35.0492 -35.0491   0.2019   0.2202   0.2202   0.2350
     0.2440   5.0864  10.1766  11.2148  11.3556  11.4628  11.4628  11.5530
    11.8919  11.8919  13.2470  13.2470  13.2760  13.3600  13.6186  13.6982
    13.8120  17.1942  17.2126  17.2126  19.4284  19.6254  22.3758  22.3758
    23.1922  25.4971  25.4971

          k =-0.1000 0.1000 0.5025 (  913 PWs)   bands (ev):

   -66.3374 -35.0501 -35.0495 -35.0490   0.1996   0.2233   0.2240   0.2348
     0.2483   5.5596   9.9124  11.0984  11.2436  11.4098  11.5596  11.7559
    11.9165  12.0794  13.0386  13.0393  13.2291  13.3032  13.6144  13.6954
    13.8095  16.0131  16.6359  16.7161  19.0148  19.9750  22.4349  22.7535
    24.5120  25.8473  26.3629

          k =-0.2000 0.2000 0.6030 (  908 PWs)   bands (ev):

   -66.3373 -35.0507 -35.0496 -35.0491   0.2006   0.2235   0.2263   0.2367
     0.2527   6.2370   9.5799  10.6666  11.1895  11.4097  11.5885  11.7745
    12.0414  12.3492  12.8313  12.8681  13.2031  13.3247  13.5857  13.7046
    13.7909  14.9162  16.1867  16.3254  18.8012  21.1956  22.2475  22.6044
    24.9640  27.1555  27.4383

          k = 0.7000-0.7000-0.3015 (  915 PWs)   bands (ev):

   -66.3374 -35.0512 -35.0497 -35.0493   0.2042   0.2213   0.2270   0.2398
     0.2545   6.9715   9.0212  10.4045  11.0794  11.4118  11.5753  11.7482
    12.2524  12.4948  12.7214  12.7915  13.1422  13.3914  13.5375  13.7314
    13.7831  14.2348  15.8248  16.3338  18.7029  22.0876  22.2489  22.8818
    25.0148  27.6173  27.8468

          k = 0.6000-0.6000-0.2010 (  922 PWs)   bands (ev):

   -66.3375 -35.0515 -35.0496 -35.0495   0.2087   0.2179   0.2261   0.2426
     0.2528   7.1356   8.8966  10.3931  10.9287  11.3772  11.5433  11.7903
    12.3677  12.4770  12.7327  12.7551  13.0340  13.4231  13.4537  13.7550
    13.9121  14.1534  15.6452  16.6975  18.7120  21.9436  22.0012  24.8488
    24.9461  25.5795  25.8974

          k = 0.5000-0.5000-0.1005 (  911 PWs)   bands (ev):

   -66.3374 -35.0512 -35.0494 -35.0490   0.2111   0.2160   0.2237   0.2444
     0.2486   6.4757   9.5370  10.5757  10.7794  11.3509  11.5344  11.8213
    12.2432  12.2994  12.7336  12.8932  13.0504  13.3661  13.5077  13.7198
    13.9843  14.7533  15.6575  17.3718  18.8292  21.8051  21.9867  23.5365
    23.7438  25.4235  27.1451

          k = 0.4000-0.4000 0.0000 (  917 PWs)   bands (ev):

   -66.3375 -35.0510 -35.0491 -35.0487   0.2092   0.2174   0.2198   0.2443
     0.2443   5.7558  10.0588  10.6857  11.0028  11.3439  11.5641  11.7192
    12.0205  12.0781  12.8762  13.0835  13.1168  13.4026  13.5515  13.6865
    13.9782  15.7744  15.9052  18.2344  19.0686  21.7386  22.0162  22.0813
    22.3204  24.8853  27.6686

          k = 1.0000-0.2000-0.6030 (  918 PWs)   bands (ev):

   -66.3374 -35.0514 -35.0505 -35.0487   0.2046   0.2186   0.2336   0.2346
     0.2538   7.2799   9.4271  10.1545  11.0153  11.3753  11.6875  11.9179
    12.0758  12.5475  12.6969  12.8378  13.1290  13.2371  13.5633  13.7051
    13.9776  14.2934  14.5705  14.8483  20.4670  21.4037  21.6892  25.0722
    26.0898  26.6491  28.3880

          k = 0.9000-0.1000-0.5025 (  916 PWs)   bands (ev):

   -66.3374 -35.0512 -35.0508 -35.0487   0.2112   0.2123   0.2329   0.2359
     0.2539   7.5375   9.5312   9.8951  10.9316  11.3969  11.6990  11.8979
    12.0564  12.5813  12.6148  12.9149  13.1540  13.3044  13.5455  13.7847
    13.8345  14.1203  14.4906  14.5530  20.7164  21.5244  22.9403  23.0307
    26.3897  27.7187  29.1936

          k =-0.6000-0.4000 1.0050 (  916 PWs)   bands (ev):

   -66.3374 -35.0513 -35.0495 -35.0492   0.2077   0.2172   0.2274   0.2399
     0.2504   6.5087   9.6199  10.5296  10.8909  11.3327  11.5986  11.9176
    12.0606  12.3914  12.7066  12.8740  13.0951  13.2934  13.5342  13.7233
    13.9675  15.0127  15.1698  16.4190  19.8356  21.2184  21.6739  24.1379
    24.1402  26.3399  27.1797

          k = 0.0000-1.0000 0.4020 (  916 PWs)   bands (ev):

   -66.3374 -35.0515 -35.0506 -35.0488   0.2033   0.2198   0.2296   0.2375
     0.2550   7.6036   9.5349  10.0224  10.8253  11.5351  11.7420  11.7957
    12.1294  12.4527  12.6366  13.0932  13.1986  13.2883  13.6188  13.7166
    13.8023  14.1750  14.1804  14.1954  20.4517  21.3037  22.9258  23.5101
    27.8604  28.3846  28.6942

          k =-0.5000-0.3000 0.9045 (  919 PWs)   bands (ev):

   -66.3375 -35.0514 -35.0498 -35.0495   0.2111   0.2140   0.2306   0.2382
     0.2528   7.1567   9.2899  10.1836  11.0007  11.2882  11.5943  11.9010
    12.2140  12.5915  12.6840  12.7156  13.0642  13.3158  13.4713  13.7845
    13.9598  14.2650  15.0166  15.7941  19.5584  21.4483  23.1442  24.1713
    24.8833  25.8411  26.9468

          k =-0.6000-0.2000 1.0050 (  912 PWs)   bands (ev):

   -66.3373 -35.0515 -35.0497 -35.0494   0.2046   0.2184   0.2326   0.2352
     0.2544   7.2760   9.4287  10.1655  11.0206  11.3775  11.6980  11.9175
    12.0809  12.5361  12.7096  12.8307  13.1359  13.2391  13.5563  13.7099
    13.9770  14.2870  14.5759  14.8403  20.4208  21.3697  21.6026  24.9750
    26.1901  26.6777  28.4616

          k =-0.4000-0.2000 0.8040 (  917 PWs)   bands (ev):

   -66.3374 -35.0511 -35.0501 -35.0495   0.2056   0.2189   0.2319   0.2359
     0.2546   7.3095   9.1390  10.1825  11.1099  11.3076  11.6391  11.8277
    12.2356  12.5736  12.6839  12.7469  13.1302  13.3643  13.4673  13.7510
    13.8617  14.1183  15.1163  15.4185  19.3959  21.6513  22.7722  24.2417
    25.2399  26.4322  28.2976

          k =-0.5000-0.1000 0.9045 (  916 PWs)   bands (ev):

   -66.3374 -35.0511 -35.0501 -35.0496   0.2111   0.2122   0.2316   0.2365
     0.2549   7.5389   9.5353   9.8989  10.9418  11.4009  11.7101  11.8996
    12.0630  12.5762  12.6180  12.9086  13.1562  13.3124  13.5343  13.7816
    13.8225  14.1193  14.4925  14.5573  20.6414  21.4597  22.8685  22.9737
    26.4640  27.8009  29.0118

          k = 0.4000-1.0000 0.0000 (  916 PWs)   bands (ev):

   -66.3374 -35.0515 -35.0499 -35.0495   0.2033   0.2195   0.2286   0.2382
     0.2557   7.6029   9.5294  10.0334  10.8362  11.5422  11.7524  11.7930
    12.1374  12.4397  12.6501  13.0831  13.2054  13.3011  13.6169  13.6993
    13.7889  14.1809  14.1824  14.1930  20.4156  21.2695  22.8253  23.4101
    27.9827  28.4336  28.8161

          k =-0.3000-0.1000 0.7035 (  915 PWs)   bands (ev):

   -66.3374 -35.0508 -35.0501 -35.0493   0.2003   0.2231   0.2312   0.2343
     0.2543   6.7539   9.4200  10.4737  11.1654  11.3845  11.6725  11.8537
    12.0940  12.4764  12.7312  12.8052  13.1766  13.2462  13.5643  13.6934
    13.8455  14.5974  15.3451  15.4616  19.3429  21.0409  21.9779  24.3611
    26.0605  27.2880  27.6376

          k =-0.4000 0.0000 0.8040 (  916 PWs)   bands (ev):

   -66.3374 -35.0507 -35.0506 -35.0495   0.2045   0.2187   0.2323   0.2352
     0.2549   7.2895   9.4332  10.1466  11.0260  11.3792  11.6974  11.9311
    12.0717  12.5584  12.6840  12.8270  13.1285  13.2369  13.5569  13.6946
    13.9746  14.2855  14.5653  14.8791  20.3856  21.3263  21.6252  25.0345
    26.1445  26.7482  28.4786

          k =-0.2000 0.0000 0.6030 (  917 PWs)   bands (ev):

   -66.3375 -35.0504 -35.0500 -35.0493   0.1979   0.2249   0.2284   0.2336
     0.2519   6.0840   9.6652  10.8697  11.2180  11.4425  11.6531  11.8266
    12.0035  12.2628  12.8358  12.9358  13.2106  13.2140  13.6057  13.6800
    13.8154  15.5437  15.6213  15.9987  19.2085  19.9798  22.3290  23.9971
    25.2020  26.6745  27.9733

          k = 0.0000 0.0000 0.6030 (  918 PWs)   bands (ev):

   -66.3375 -35.0501 -35.0498 -35.0498   0.1940   0.2289   0.2289   0.2302
     0.2515   5.9271   9.6474  10.9931  11.4997  11.5943  11.5943  11.6007
    12.2019  12.2019  12.9585  12.9585  13.0863  13.2290  13.6301  13.6896
    13.7235  15.7250  15.8856  15.8856  18.4969  19.2779  23.8751  23.8751
    25.4162  27.6738  27.6739

          k =-0.1000 0.1000 0.7035 (  917 PWs)   bands (ev):

   -66.3375 -35.0506 -35.0499 -35.0498   0.1925   0.2276   0.2317   0.2319
     0.2549   6.4882   9.4372  10.7471  11.4323  11.5615  11.6326  11.7582
    12.2558  12.4172  12.8083  12.8506  13.0608  13.2569  13.6100  13.6898
    13.6990  15.0084  15.1188  15.4021  18.5281  19.6061  24.1370  24.3018
    26.7298  28.1261  28.3157

          k = 0.8000-0.8000-0.2010 (  916 PWs)   bands (ev):

   -66.3374 -35.0509 -35.0499 -35.0499   0.1959   0.2272   0.2314   0.2328
     0.2564   7.1139   9.2839  10.3453  11.2763  11.4574  11.6192  11.8600
    12.2421  12.4340  12.7918  12.7998  13.2020  13.2624  13.5143  13.6938
    13.8118  14.2592  14.7793  15.2557  18.5764  20.8427  23.9529  24.0987
    27.1369  27.8373  28.1062

          k = 0.7000-0.7000-0.1005 (  919 PWs)   bands (ev):

   -66.3375 -35.0510 -35.0500 -35.0499   0.2026   0.2238   0.2317   0.2336
     0.2550   7.4335   9.3008   9.9675  11.2004  11.2335  11.5579  11.9418
    12.2902  12.5165  12.6836  12.7886  13.1095  13.3339  13.3500  13.8426
    13.9849  14.0230  14.6471  15.5764  18.6079  22.6222  23.7346  23.7416
    25.5553  25.7365  27.6073

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

   -66.3374 -35.0513 -35.0496 -35.0496   0.2098   0.2176   0.2286   0.2391
     0.2517   7.0933   9.4769  10.0587  10.9740  11.2452  11.5256  12.0075
    12.2462  12.4945  12.7019  12.7316  13.0173  13.2888  13.4315  13.8172
    14.0277  14.4567  14.7475  16.3461  18.6848  23.2146  23.5771  23.6006
    24.0903  24.7696  27.1298

          k =-0.4000-0.2000 1.0050 (  916 PWs)   bands (ev):

   -66.3374 -35.0509 -35.0501 -35.0499   0.2048   0.2199   0.2320   0.2349
     0.2550   7.5085   9.6628   9.6893  11.0381  11.3416  11.6056  11.9608
    12.1857  12.5311  12.6964  12.8217  13.1047  13.2867  13.4312  13.8566
    13.9684  14.0551  14.4160  15.0234  19.3426  22.6399  22.9937  23.5440
    25.9866  26.2728  28.6187

          k =-0.3000-0.1000 0.9045 (  917 PWs)   bands (ev):

   -66.3374 -35.0507 -35.0504 -35.0499   0.1970   0.2258   0.2284   0.2366
     0.2569   7.4557   9.3452  10.1803  11.0489  11.5411  11.6747  11.8376
    12.3056  12.4008  12.7163  12.9428  13.1789  13.2659  13.5016  13.6842
    13.9264  14.0949  14.3859  14.5848  19.1721  20.8304  23.5179  25.3741
    26.2843  28.0412  28.8773

          k = 0.6000-1.0000 0.0000 (  912 PWs)   bands (ev):

   -66.3373 -35.0506 -35.0505 -35.0498   0.2032   0.2199   0.2282   0.2382
     0.2562   7.6093   9.5540  10.0128  10.8378  11.5407  11.7571  11.8099
    12.1213  12.4662  12.6224  13.0802  13.2030  13.2973  13.6000  13.6983
    13.7977  14.1697  14.1775  14.2090  20.3714  21.2250  22.8706  23.4520
    27.9161  28.4857  28.7630

          k =-0.2000 0.0000 0.8040 (  919 PWs)   bands (ev):

   -66.3375 -35.0508 -35.0502 -35.0499   0.1922   0.2256   0.2314   0.2355
     0.2569   7.0146   9.3013  10.5438  11.2427  11.6231  11.7106  11.7695
    12.3738  12.4045  12.7887  12.8919  13.0431  13.2631  13.6062  13.6097
    13.7944  14.5803  14.6360  14.6891  18.8556  19.7328  23.9182  25.8421
    27.1785  28.0631  29.1395

          k = 0.0000 0.0000 0.8040 (  914 PWs)   bands (ev):

   -66.3374 -35.0506 -35.0500 -35.0500   0.1874   0.2229   0.2357   0.2357
     0.2575   6.9008   9.2425  10.6977  11.3481  11.6826  11.6826  11.8484
    12.5353  12.5353  12.7464  12.9264  12.9264  13.2887  13.5862  13.6028
    13.6826  14.5194  14.7388  14.7388  18.2042  19.1121  25.7111  25.7111
    27.4504  28.6619  29.8710

          k = 0.9000-0.9000-0.1005 (  927 PWs)   bands (ev):

   -66.3376 -35.0511 -35.0502 -35.0502   0.1880   0.2220   0.2357   0.2369
     0.2587   7.3325   9.1608  10.5196  11.1259  11.6710  11.7541  11.9313
    12.2949  12.5180  12.8654  12.9710  13.1026  13.3378  13.5047  13.6097
    13.8108  14.1788  14.2844  14.3952  18.3714  19.4571  26.0060  26.0335
    27.8715  28.2108  29.1656

          k = 0.8000-0.8000 0.0000 (  926 PWs)   bands (ev):

   -66.3376 -35.0508 -35.0505 -35.0502   0.1940   0.2258   0.2313   0.2356
     0.2575   7.5365   9.3220  10.1176  11.0646  11.6070  11.6322  11.8605
    12.3239  12.4501  12.8264  12.8613  13.1947  13.2166  13.4075  13.7257
    13.9903  14.0399  14.2670  14.6594  18.5219  20.7345  25.4014  25.7433
    25.8436  26.3759  29.3897

          k = 0.8000-1.0000 0.0000 (  922 PWs)   bands (ev):

   -66.3375 -35.0510 -35.0503 -35.0501   0.1899   0.2225   0.2332   0.2382
     0.2586   7.5101   9.1872  10.4234  10.9977  11.7090  11.7326  11.8989
    12.2323  12.5115  12.8475  12.9488  13.2790  13.3027  13.4955  13.6450
    13.9659  14.0003  14.0989  14.1865  18.7645  19.6584  25.4293  26.0032
    27.5396  28.5133  28.8880

          k = 0.0000 0.0000-1.0050 (  934 PWs)   bands (ev):

   -66.3377 -35.0514 -35.0502 -35.0502   0.1848   0.2194   0.2382   0.2382
     0.2597   7.4535   9.0526  10.5865  11.0513  11.7174  11.7174  12.1076
    12.4905  12.5268  12.5268  13.3384  13.3384  13.3742  13.4757  13.5631
    13.6799  14.0406  14.0406  14.1643  18.1376  19.0639  27.4052  27.4052
    28.4002  28.4002  28.4591

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


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

   -62.1263 -30.9472 -30.9438 -30.9438   0.1966   0.1966   0.1971   0.2264
     0.2272   4.4453  11.5034  11.5034  11.5143  11.9195  11.9228  13.3234
    13.3340  13.3340  14.2402  14.2498  14.8128  14.8128  14.8275  16.6898
    16.7012  19.5096  19.5096  19.5313  19.7268  21.9092  21.9369  21.9369
    22.5290  23.3988  23.3988

          k =-0.1000 0.1000 0.1005 (  917 PWs)   bands (ev):

   -62.1259 -30.9477 -30.9436 -30.9434   0.1964   0.1979   0.1982   0.2275
     0.2283   4.5815  11.4026  11.4954  11.5028  11.9890  11.9925  13.2939
    13.3010  13.3440  14.0782  14.0850  14.4482  14.9554  14.9681  16.6207
    16.6321  18.5966  19.5614  19.5735  20.3961  21.4581  21.7781  21.7979
    22.9720  23.4799  23.5213

          k =-0.2000 0.2000 0.2010 (  917 PWs)   bands (ev):

   -62.1259 -30.9483 -30.9444 -30.9436   0.1955   0.2010   0.2013   0.2306
     0.2315   4.9829  11.0546  11.5034  11.5108  12.1527  12.1559  13.1991
    13.2049  13.3424  13.6252  13.7929  13.7963  15.1771  15.1928  16.4934
    16.5041  17.8936  19.6124  19.6565  19.6643  21.2587  21.3194  22.5728
    23.3169  23.9929  24.0045

          k =-0.3000 0.3000 0.3015 (  916 PWs)   bands (ev):

   -62.1259 -30.9491 -30.9452 -30.9439   0.1941   0.2041   0.2042   0.2353
     0.2364   5.6231  10.3283  11.5509  11.5597  12.3498  12.3518  12.9025
    13.0567  13.0613  13.3615  13.5194  13.5195  15.3233  15.3379  16.4530
    16.4597  17.2530  19.0396  19.7085  19.7165  20.6180  20.6898  23.2875
    24.4136  25.0132  25.0456

          k =-0.4000 0.4000 0.4020 (  913 PWs)   bands (ev):

   -62.1257 -30.9499 -30.9456 -30.9440   0.1928   0.2060   0.2061   0.2397
     0.2408   6.4202   9.3149  11.6157  11.6267  12.5455  12.5459  12.6529
    12.8957  12.8987  13.2924  13.3068  13.3094  15.3679  15.3782  16.5303
    16.5314  16.7217  18.8076  19.6618  19.6907  20.1691  20.2214  23.4263
    26.3152  26.4413  26.4748

          k = 0.5000-0.5000-0.5025 (  912 PWs)   bands (ev):

   -62.1257 -30.9503 -30.9457 -30.9441   0.1923   0.2066   0.2067   0.2414
     0.2427   6.9536   8.6763  11.6473  11.6595  12.6164  12.7045  12.7156
    12.7425  12.7495  13.2213  13.2253  13.2489  15.3708  15.3791  16.5187
    16.5869  16.5881  18.7480  19.5837  19.6349  20.0496  20.0801  23.4604
    27.8584  27.9081  28.8264

          k = 0.0000 0.2000 0.0000 (  921 PWs)   bands (ev):

   -62.1261 -30.9478 -30.9438 -30.9437   0.1943   0.1994   0.1998   0.2272
     0.2289   4.6260  11.2605  11.5671  11.5777  11.9702  12.0200  13.2556
    13.3170  13.3279  13.8968  14.2447  14.6411  14.6520  15.0121  16.5345
    16.6464  18.5901  19.2924  19.2976  21.0241  21.3256  21.6942  21.7908
    22.4301  23.7064  24.4395

          k =-0.1000 0.3000 0.1005 (  918 PWs)   bands (ev):

   -62.1260 -30.9480 -30.9445 -30.9438   0.1927   0.2023   0.2029   0.2283
     0.2320   4.9376  11.0119  11.5748  11.6247  12.0789  12.1361  13.0782
    13.2838  13.3162  13.6695  13.9994  14.1063  14.7319  15.2726  16.3501
    16.5662  18.1057  18.9730  19.0206  20.7894  21.2964  21.5985  21.8363
    23.2098  24.1645  25.1261

          k =-0.2000 0.4000 0.2010 (  920 PWs)   bands (ev):

   -62.1260 -30.9489 -30.9455 -30.9439   0.1924   0.2045   0.2061   0.2313
     0.2365   5.4969  10.5538  11.4983  11.6752  12.2556  12.3051  12.7841
    13.1888  13.2121  13.3601  13.6354  13.6693  14.9553  15.4504  16.2544
    16.5018  17.4720  18.6383  18.7675  20.2022  21.0022  21.7790  22.5422
    23.9818  25.0816  25.8657

          k =-0.3000 0.5000 0.3015 (  913 PWs)   bands (ev):

   -62.1257 -30.9495 -30.9458 -30.9441   0.1927   0.2055   0.2081   0.2355
     0.2407   6.2468   9.7096  11.4442  11.7241  12.4225  12.4373  12.6440
    12.9821  13.0497  13.2300  13.3479  13.4927  15.1486  15.4142  16.3386
    16.5255  16.8454  18.4581  18.5934  19.6076  20.9943  21.5410  23.9209
    24.1493  26.7886  27.0327

          k = 0.6000-0.4000-0.6030 (  913 PWs)   bands (ev):

   -62.1257 -30.9501 -30.9458 -30.9443   0.1933   0.2057   0.2087   0.2390
     0.2423   6.9508   8.8785  11.4575  11.7250  12.4206  12.5983  12.7298
    12.8753  12.8843  13.2118  13.2196  13.3311  15.2823  15.3041  16.4286
    16.5613  16.5629  18.3151  18.6324  19.2218  21.1003  21.2618  24.1022
    25.7736  27.8721  28.2388

          k = 0.5000-0.3000-0.5025 (  915 PWs)   bands (ev):

   -62.1257 -30.9500 -30.9457 -30.9444   0.1939   0.2056   0.2080   0.2397
     0.2407   6.7624   9.1011  11.4960  11.6505  12.3876  12.6887  12.6947
    12.7519  12.9889  13.2010  13.2591  13.3688  15.1316  15.4553  16.4785
    16.5348  16.5875  18.2594  18.9831  19.1051  21.0432  21.2574  24.0926
    26.0640  26.1458  27.8940

          k = 0.4000-0.2000-0.4020 (  914 PWs)   bands (ev):

   -62.1258 -30.9495 -30.9453 -30.9442   0.1944   0.2051   0.2059   0.2358
     0.2382   5.9859  10.0391  11.5421  11.5577  12.3037  12.4984  12.7204
    12.8949  13.1271  13.2817  13.4240  13.5516  14.9550  15.6041  16.3121
    16.5317  17.0365  18.3562  19.2067  19.5296  21.0222  21.3892  23.8093
    24.4791  24.6133  27.4230

          k = 0.3000-0.1000-0.3015 (  919 PWs)   bands (ev):

   -62.1260 -30.9490 -30.9446 -30.9439   0.1949   0.2027   0.2037   0.2313
     0.2344   5.2879  10.7959  11.4653  11.6313  12.1570  12.2983  13.0384
    13.0573  13.2489  13.4492  13.6291  13.8763  14.7416  15.5932  16.2828
    16.5383  17.7111  18.5486  19.6391  19.8384  21.3982  21.4671  22.7522
    23.1810  24.1037  25.9873

          k = 0.2000 0.0000-0.2010 (  913 PWs)   bands (ev):

   -62.1258 -30.9480 -30.9438 -30.9436   0.1955   0.1995   0.2010   0.2284
     0.2306   4.8065  11.1947  11.4516  11.6122  12.0301  12.1177  13.2029
    13.3018  13.3083  13.8131  13.8505  14.4378  14.5428  15.3291  16.4629
    16.5952  18.2405  18.9815  19.7882  20.3797  21.1958  21.9432  22.1817
    22.4797  23.5551  24.6948

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

   -62.1258 -30.9481 -30.9451 -30.9439   0.1881   0.2067   0.2068   0.2262
     0.2347   5.1551  10.7512  11.7536  11.7634  12.1027  12.1351  12.8072
    13.2933  13.3051  13.6488  14.2376  14.2583  14.2635  15.1713  16.0541
    16.5176  18.0578  18.4500  18.4595  20.1707  20.8950  22.4188  22.5405
    23.5444  25.6834  26.2573

          k =-0.1000 0.5000 0.1005 (  913 PWs)   bands (ev):

   -62.1258 -30.9485 -30.9458 -30.9442   0.1859   0.2099   0.2106   0.2259
     0.2386   5.6206  10.4420  11.7287  11.8605  12.2085  12.2284  12.5219
    13.2467  13.2612  13.5316  13.7981  13.8522  14.5242  15.3413  15.8201
    16.4442  17.6451  17.9573  18.0247  19.8095  21.0531  22.6032  22.9525
    24.9900  26.1871  27.0034

          k =-0.2000 0.6000 0.2010 (  909 PWs)   bands (ev):

   -62.1256 -30.9489 -30.9462 -30.9444   0.1870   0.2102   0.2131   0.2278
     0.2424   6.2881   9.9907  11.3626  11.9269  12.2036  12.3839  12.5501
    13.1465  13.1699  13.2153  13.4278  13.6536  14.8145  15.2933  15.8882
    16.4440  16.9406  17.7315  17.7525  19.6255  21.9662  22.5464  23.0273
    25.7116  27.3273  27.8325

          k = 0.7000-0.3000-0.7035 (  914 PWs)   bands (ev):

   -62.1257 -30.9497 -30.9463 -30.9447   0.1907   0.2080   0.2138   0.2310
     0.2437   7.0048   9.3394  11.0676  11.9201  12.1505  12.5162  12.7427
    12.9811  13.0262  13.1989  13.2201  13.4867  15.0759  15.0922  16.0498
    16.4972  16.5948  17.5292  17.6657  19.4588  22.4601  22.8329  23.5282
    25.7576  27.9602  28.1772

          k = 0.6000-0.2000-0.6030 (  920 PWs)   bands (ev):

   -62.1259 -30.9501 -30.9461 -30.9450   0.1953   0.2046   0.2129   0.2342
     0.2418   7.1689   9.2054  10.9788  11.8042  12.1321  12.6228  12.8107
    12.8731  12.9966  13.1844  13.2665  13.4043  14.8575  15.3593  16.2195
    16.4298  16.6023  17.3594  17.9805  19.3514  22.4427  22.5946  25.3017
    25.5794  26.0047  26.4359

          k = 0.5000-0.1000-0.5025 (  911 PWs)   bands (ev):

   -62.1256 -30.9496 -30.9454 -30.9448   0.1976   0.2029   0.2104   0.2361
     0.2378   6.5385   9.8902  11.0862  11.6404  12.1562  12.6772  12.7435
    12.7805  13.0061  13.3055  13.3163  13.5760  14.6530  15.6521  16.2215
    16.4874  16.8132  17.3915  18.5944  19.3058  22.3838  22.4477  23.9974
    24.2711  26.0272  27.6598

          k = 0.4000 0.0000-0.4020 (  915 PWs)   bands (ev):

   -62.1258 -30.9494 -30.9447 -30.9447   0.1959   0.2042   0.2065   0.2337
     0.2363   5.8289  10.4622  11.4708  11.5126  12.1586  12.4807  12.7612
    12.8916  13.1152  13.4076  13.4752  13.7843  14.5190  15.9323  15.9806
    16.5412  17.4234  17.6918  19.2831  19.3789  22.0578  22.2769  22.9700
    23.0256  25.3539  28.0295

          k = 0.0000 0.6000 0.0000 (  914 PWs)   bands (ev):

   -62.1258 -30.9487 -30.9464 -30.9446   0.1803   0.2153   0.2154   0.2216
     0.2418   5.9842  10.1581  12.0448  12.0538  12.0913  12.1933  12.2809
    13.2276  13.2415  13.6396  13.8773  13.8817  14.2288  15.2100  15.3657
    16.3431  17.4938  17.4948  17.6134  19.1684  20.6934  23.9195  24.0434
    25.7245  28.0822  28.3108

          k =-0.1000 0.7000 0.1005 (  912 PWs)   bands (ev):

   -62.1257 -30.9489 -30.9468 -30.9447   0.1789   0.2170   0.2185   0.2206
     0.2450   6.5460   9.8584  11.6308  11.9797  12.1794  12.3902  12.4024
    13.1449  13.1729  13.4427  13.5719  13.7272  14.4403  15.0633  15.3720
    16.3051  16.9555  17.1370  17.4078  19.2572  20.8736  24.3031  24.5744
    27.1295  28.4157  28.7666

          k = 0.8000-0.2000-0.8040 (  919 PWs)   bands (ev):

   -62.1259 -30.9494 -30.9470 -30.9450   0.1824   0.2151   0.2194   0.2221
     0.2461   7.1829   9.5867  10.9663  11.8736  12.2068  12.4865  12.6940
    13.0335  13.0894  13.2231  13.2929  13.6034  14.7738  14.8384  15.5925
    16.4011  16.6178  16.9499  17.2044  19.4715  21.7514  24.2103  24.5772
    27.5974  28.2089  28.5255

          k = 0.7000-0.1000-0.7035 (  919 PWs)   bands (ev):

   -62.1259 -30.9497 -30.9467 -30.9453   0.1892   0.2105   0.2183   0.2259
     0.2444   7.5099   9.5764  10.3953  11.8731  12.0640  12.5488  12.8893
    12.9851  13.0330  13.0999  13.3193  13.4230  14.6774  15.1099  15.7974
    16.4305  16.6061  16.9959  17.1538  19.5091  23.3125  24.0542  24.3258
    25.8773  26.1533  28.2162

          k = 0.6000 0.0000-0.6030 (  915 PWs)   bands (ev):

   -62.1257 -30.9500 -30.9459 -30.9452   0.1966   0.2041   0.2151   0.2313
     0.2409   7.1581   9.8975  10.3507  11.8327  11.9932  12.6257  12.8725
    12.9149  12.9602  13.1861  13.3022  13.4901  14.5910  15.4248  16.1302
    16.3108  16.8305  16.8375  17.7749  19.4438  23.6812  23.8443  24.2361
    24.5381  25.3666  27.7054

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

   -62.1259 -30.9492 -30.9473 -30.9450   0.1738   0.2153   0.2220   0.2224
     0.2476   6.9784   9.5459  11.7542  11.7706  12.3997  12.4091  12.4397
    13.0615  13.0759  13.6429  13.6494  13.6674  14.2218  14.8016  15.1968
    16.1864  16.7817  16.7911  17.2356  18.9027  20.6100  25.8191  25.9460
    27.6155  29.3566  30.2230

          k = 0.9000-0.1000-0.9045 (  925 PWs)   bands (ev):

   -62.1261 -30.9493 -30.9478 -30.9452   0.1745   0.2147   0.2223   0.2234
     0.2487   7.4523   9.3183  11.3582  11.6417  12.4813  12.5280  12.6673
    12.9362  12.9704  13.4301  13.4638  13.6597  14.4205  14.6719  15.3046
    16.2331  16.5717  16.5952  17.1206  19.1307  20.8055  26.2096  26.4169
    28.0302  28.5366  29.5059

          k = 0.8000 0.0000-0.8040 (  926 PWs)   bands (ev):

   -62.1262 -30.9495 -30.9475 -30.9454   0.1805   0.2178   0.2185   0.2221
     0.2472   7.6676   9.4385  10.6818  11.6823  12.3659  12.5139  12.9124
    12.9155  12.9464  13.2553  13.2820  13.5449  14.6236  14.7735  15.5022
    16.4792  16.5443  16.5581  17.0115  19.4537  21.6842  25.9445  25.9851
    26.1960  26.6597  30.8355

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

   -62.1264 -30.9494 -30.9482 -30.9452   0.1713   0.2123   0.2245   0.2250
     0.2498   7.6133   9.1134  11.5336  11.5986  12.5046  12.6988  12.7123
    12.8306  12.8400  13.5775  13.5844  13.6812  14.2191  14.6260  15.1857
    16.1220  16.5168  16.5297  17.1102  18.8677  20.5878  27.5817  27.7047
    28.4677  28.5522  28.7021

          k = 0.0000 0.0000 0.2010 (  925 PWs)   bands (ev):

   -62.1263 -30.9479 -30.9438 -30.9438   0.1947   0.1994   0.1994   0.2268
     0.2295   4.6278  11.2706  11.5671  11.5671  11.9688  12.0231  13.2489
    13.3259  13.3259  13.9024  14.2374  14.6372  14.6372  15.0168  16.5310
    16.6545  18.5876  19.2980  19.2980  21.0870  21.2934  21.7101  21.7101
    22.4884  23.7218  24.4562

          k =-0.1000 0.1000 0.3015 (  921 PWs)   bands (ev):

   -62.1261 -30.9486 -30.9440 -30.9439   0.1931   0.2023   0.2028   0.2278
     0.2326   4.9412  11.0188  11.5719  11.6190  12.0785  12.1403  13.0765
    13.2859  13.3174  13.6687  13.9937  14.0961  14.7204  15.2742  16.3481
    16.5742  18.0993  18.9976  19.0243  20.7954  21.3281  21.5907  21.7877
    23.1898  24.1822  25.1315

          k =-0.2000 0.2000 0.4020 (  918 PWs)   bands (ev):

   -62.1259 -30.9495 -30.9446 -30.9441   0.1927   0.2045   0.2061   0.2308
     0.2373   5.5020  10.5532  11.5014  11.6691  12.2569  12.3101  12.7846
    13.1884  13.2106  13.3557  13.6326  13.6621  14.9431  15.4541  16.2508
    16.5081  17.4697  18.6755  18.7636  20.2078  21.0150  21.7270  22.5087
    23.9669  25.1192  25.8939

          k =-0.3000 0.3000 0.5025 (  909 PWs)   bands (ev):

   -62.1256 -30.9499 -30.9451 -30.9441   0.1928   0.2056   0.2081   0.2348
     0.2415   6.2528   9.7042  11.4524  11.7162  12.4266  12.4409  12.6439
    12.9794  13.0470  13.2271  13.3487  13.4876  15.1383  15.4201  16.3361
    16.5276  16.8447  18.5072  18.5787  19.5851  21.0158  21.4969  23.8852
    24.1320  26.8403  27.0715

          k = 0.6000-0.6000-0.4020 (  913 PWs)   bands (ev):

   -62.1257 -30.9502 -30.9458 -30.9442   0.1933   0.2058   0.2087   0.2382
     0.2432   6.9542   8.8758  11.4674  11.7155  12.4228  12.6047  12.7213
    12.8790  12.8822  13.2153  13.2164  13.3292  15.2931  15.2960  16.4300
    16.5572  16.5606  18.3692  18.6075  19.1773  21.1293  21.2281  24.1224
    25.6995  27.9029  28.2649

          k = 0.5000-0.5000-0.3015 (  913 PWs)   bands (ev):

   -62.1257 -30.9500 -30.9459 -30.9442   0.1939   0.2057   0.2079   0.2391
     0.2412   6.7581   9.1070  11.5057  11.6413  12.3879  12.6866  12.6886
    12.7547  12.9930  13.1982  13.2642  13.3709  15.1466  15.4493  16.4756
    16.5369  16.5826  18.3004  18.9550  19.0496  21.0256  21.2856  24.1275
    26.1191  26.1302  27.8076

          k = 0.4000-0.4000-0.2010 (  914 PWs)   bands (ev):

   -62.1258 -30.9491 -30.9459 -30.9440   0.1944   0.2052   0.2058   0.2367
     0.2371   5.9811  10.0453  11.5356  11.5653  12.3032  12.4939  12.7155
    12.9013  13.1243  13.2845  13.4281  13.5563  14.9735  15.5964  16.3122
    16.5307  17.0351  18.3821  19.1657  19.4785  21.0134  21.4222  23.8378
    24.5013  24.6368  27.3723

          k = 0.3000-0.3000-0.1005 (  920 PWs)   bands (ev):

   -62.1260 -30.9485 -30.9455 -30.9436   0.1947   0.2026   0.2039   0.2321
     0.2334   5.2843  10.7976  11.4592  11.6408  12.1571  12.2938  13.0324
    13.0636  13.2417  13.4565  13.6308  13.8838  14.7608  15.5817  16.2892
    16.5330  17.7185  18.5565  19.6025  19.7916  21.4439  21.4556  22.7341
    23.1911  24.1667  25.9610

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

   -62.1259 -30.9478 -30.9443 -30.9434   0.1953   0.1993   0.2014   0.2291
     0.2298   4.8046  11.1917  11.4461  11.6228  12.0316  12.1139  13.2089
    13.2991  13.3035  13.8111  13.8484  14.4474  14.5611  15.3183  16.4713
    16.5859  18.2563  18.9713  19.7613  20.3513  21.2644  21.8935  22.1927
    22.4444  23.6200  24.6676

          k = 0.0000 0.4000 0.2010 (  924 PWs)   bands (ev):

   -62.1262 -30.9487 -30.9452 -30.9443   0.1910   0.2056   0.2060   0.2288
     0.2355   5.3283  10.7192  11.5888  11.7116  12.1298  12.2694  12.8005
    13.2250  13.2546  13.5099  13.7111  14.0598  14.4802  15.5400  16.1088
    16.5187  17.8665  18.2159  18.6425  20.7494  21.2683  21.3292  22.6503
    23.6909  24.9929  26.3797

          k =-0.1000 0.5000 0.3015 (  917 PWs)   bands (ev):

   -62.1259 -30.9492 -30.9455 -30.9446   0.1916   0.2062   0.2096   0.2310
     0.2390   5.9455  10.2785  11.4552  11.6795  12.2051  12.4406  12.6246
    13.0314  13.1484  13.3165  13.5223  13.6972  14.6541  15.6480  16.0306
    16.5030  17.2120  17.8462  18.2829  20.2668  21.3508  22.0867  22.9832
    24.5795  25.6295  27.9448

          k = 0.8000-0.4000-0.6030 (  914 PWs)   bands (ev):

   -62.1257 -30.9495 -30.9459 -30.9448   0.1937   0.2048   0.2118   0.2341
     0.2414   6.6950   9.5347  11.2142  11.7514  12.2222  12.5766  12.7033
    12.8751  13.0595  13.2016  13.3077  13.5025  14.8834  15.4168  16.2335
    16.5073  16.6623  17.6783  18.0023  19.8737  21.3828  22.6798  23.8280
    25.1962  26.6655  27.8441

          k = 0.7000-0.3000-0.5025 (  918 PWs)   bands (ev):

   -62.1259 -30.9500 -30.9459 -30.9450   0.1952   0.2036   0.2126   0.2356
     0.2421   7.1665   9.0176  11.1513  11.7921  12.2106  12.6533  12.7027
    12.9192  12.9699  13.2041  13.2366  13.3706  15.0402  15.2461  16.2977
    16.4561  16.5713  17.7086  17.7769  19.7418  21.3983  22.6935  25.1643
    25.6131  25.7831  28.4495

          k = 0.2000 0.4000 0.0000 (  920 PWs)   bands (ev):

   -62.1260 -30.9483 -30.9457 -30.9439   0.1910   0.2058   0.2059   0.2288
     0.2354   5.3265  10.7211  11.5813  11.7222  12.1301  12.2661  12.7998
    13.2319  13.2441  13.5151  13.7065  14.0631  14.5007  15.5273  16.1135
    16.5167  17.8809  18.2101  18.6343  20.7153  21.2668  21.2792  22.7285
    23.6563  25.0566  26.3540

          k = 0.0000 0.6000 0.2010 (  917 PWs)   bands (ev):

   -62.1259 -30.9489 -30.9460 -30.9450   0.1843   0.2118   0.2149   0.2248
     0.2419   6.1398  10.1457  11.6458  11.8261  12.1778  12.3748  12.4500
    13.1778  13.2034  13.3196  13.6547  13.7503  14.4524  15.4776  15.5515
    16.4032  17.2471  17.3907  17.6823  19.8551  21.0973  22.7143  24.0455
    25.7451  27.1195  28.2869

          k = 0.9000-0.3000-0.7035 (  915 PWs)   bands (ev):

   -62.1258 -30.9493 -30.9462 -30.9451   0.1868   0.2100   0.2177   0.2259
     0.2439   6.8075   9.8042  11.0973  11.8352  12.1458  12.4985  12.6454
    13.0205  13.0940  13.1728  13.4382  13.5988  14.6305  15.1563  15.8284
    16.4350  16.7134  17.1098  17.4521  20.0490  21.8738  22.5582  24.5383
    26.5912  27.7003  28.0393

          k = 0.8000-0.2000-0.6030 (  919 PWs)   bands (ev):

   -62.1259 -30.9495 -30.9464 -30.9455   0.1922   0.2056   0.2184   0.2281
     0.2437   7.3639   9.4452  10.7001  11.8178  12.1021  12.5823  12.7717
    12.9504  13.0259  13.2061  13.2564  13.4576  14.8215  14.9642  16.0141
    16.4075  16.5722  17.0719  17.2484  20.0813  22.3648  23.4166  24.5117
    25.7053  27.0865  28.5497

          k = 0.7000-0.1000-0.5025 (  916 PWs)   bands (ev):

   -62.1258 -30.9494 -30.9460 -30.9457   0.1977   0.2008   0.2172   0.2304
     0.2420   7.2177   9.6334  10.6215  11.7814  12.0658  12.6583  12.7197
    12.9423  13.0272  13.1597  13.3344  13.4573  14.6652  15.2168  16.1977
    16.2983  16.6533  16.9873  17.4914  20.1439  22.2233  23.6171  24.5281
    25.4234  26.2385  27.5075

          k = 0.6000 0.0000-0.4020 (  915 PWs)   bands (ev):

   -62.1258 -30.9493 -30.9456 -30.9452   0.1943   0.2041   0.2140   0.2313
     0.2403   6.5745  10.0380  10.9989  11.6866  12.1243  12.6030  12.6957
    12.8757  13.0380  13.2387  13.4500  13.6026  14.5474  15.5466  16.0558
    16.4805  16.8748  17.1363  17.9042  20.2819  22.0228  22.2431  24.2421
    24.7602  26.8851  27.7188

          k = 0.3000 0.5000-0.1005 (  915 PWs)   bands (ev):

   -62.1258 -30.9489 -30.9461 -30.9441   0.1916   0.2063   0.2095   0.2308
     0.2390   5.9422  10.2837  11.4600  11.6784  12.2044  12.4367  12.6232
    13.0355  13.1387  13.3262  13.5223  13.7001  14.6753  15.6404  16.0279
    16.5028  17.2115  17.8533  18.2766  20.2115  21.3019  22.0979  23.0138
    24.6073  25.6923  27.9125

          k = 0.2000 0.6000 0.0000 (  913 PWs)   bands (ev):

   -62.1257 -30.9488 -30.9465 -30.9444   0.1843   0.2117   0.2150   0.2247
     0.2419   6.1382  10.1479  11.6541  11.8227  12.1750  12.3721  12.4513
    13.1647  13.2139  13.3236  13.6523  13.7523  14.4715  15.4802  15.5377
    16.4032  17.2456  17.3914  17.6828  19.8385  21.0924  22.6160  24.1521
    25.7407  27.1712  28.2575

          k = 1.0000-0.2000-0.8040 (  915 PWs)   bands (ev):

   -62.1258 -30.9492 -30.9470 -30.9451   0.1786   0.2165   0.2195   0.2219
     0.2467   7.0906   9.6096  11.3437  11.7073  12.3248  12.4801  12.5874
    13.0628  13.0691  13.2427  13.5442  13.6354  14.4472  14.8388  15.4880
    16.3054  16.6853  16.7737  17.2237  19.5251  20.9880  24.3565  25.9264
    27.5332  28.4757  29.4909

          k = 0.9000-0.1000-0.7035 (  919 PWs)   bands (ev):

   -62.1259 -30.9491 -30.9471 -30.9456   0.1836   0.2132   0.2204   0.2229
     0.2464   7.5638   9.5482  10.7319  11.5909  12.3358  12.5334  12.8007
    12.9578  12.9969  13.1316  13.3775  13.5435  14.6338  14.6855  15.7091
    16.4077  16.5242  16.6472  17.0521  19.9673  21.7586  24.0818  25.8034
    26.4946  28.2652  29.2588

          k = 0.8000 0.0000-0.6030 (  918 PWs)   bands (ev):

   -62.1258 -30.9491 -30.9466 -30.9458   0.1915   0.2065   0.2213   0.2248
     0.2442   7.6048   9.9052  10.0867  11.6703  12.1735  12.5789  12.8115
    12.9824  13.0456  13.1041  13.3505  13.4157  14.6111  14.9144  15.9283
    16.3427  16.6357  16.7791  17.0343  20.1341  23.3251  23.7182  23.9585
    26.3269  26.4470  29.2054

          k =-0.6000-0.4000 0.8040 (  911 PWs)   bands (ev):

   -62.1256 -30.9497 -30.9462 -30.9442   0.1937   0.2048   0.2119   0.2335
     0.2418   6.6911   9.5415  11.2214  11.7475  12.2218  12.5718  12.7031
    12.8776  13.0559  13.2079  13.3084  13.5054  14.9038  15.4142  16.2243
    16.5064  16.6575  17.6919  17.9991  19.8104  21.3365  22.7305  23.8084
    25.2526  26.7129  27.7469

          k =-0.7000-0.3000 0.9045 (  915 PWs)   bands (ev):

   -62.1258 -30.9494 -30.9469 -30.9445   0.1868   0.2099   0.2179   0.2255
     0.2441   6.8049   9.8082  11.1039  11.8392  12.1397  12.4952  12.6462
    13.0240  13.0859  13.1820  13.4380  13.6015  14.6525  15.1569  15.8115
    16.4340  16.7083  17.1119  17.4529  20.0203  21.8624  22.4701  24.6212
    26.6207  27.7234  27.9640

          k =-0.8000-0.2000 1.0050 (  919 PWs)   bands (ev):

   -62.1259 -30.9493 -30.9473 -30.9449   0.1786   0.2162   0.2193   0.2223
     0.2468   7.0894   9.6101  11.3492  11.7107  12.3178  12.4772  12.5921
    13.0559  13.0736  13.2459  13.5472  13.6361  14.4636  14.8392  15.4723
    16.3058  16.6753  16.7803  17.2245  19.5116  20.9820  24.2475  26.0439
    27.5153  28.4056  29.5328

          k = 0.0000-1.0000 0.2010 (  922 PWs)   bands (ev):

   -62.1260 -30.9492 -30.9477 -30.9453   0.1764   0.2155   0.2198   0.2245
     0.2485   7.6591   9.2774  11.2080  11.4732  12.5101  12.5763  12.7949
    12.8723  12.8947  13.2570  13.4843  13.6173  14.4470  14.6249  15.4517
    16.2882  16.4758  16.5451  17.0624  19.4632  20.9558  26.0172  26.2791
    27.7250  28.5905  29.0005

          k =-0.5000-0.3000 0.7035 (  916 PWs)   bands (ev):

   -62.1258 -30.9503 -30.9462 -30.9443   0.1952   0.2037   0.2127   0.2346
     0.2431   7.1675   9.0192  11.1587  11.7874  12.2122  12.6485  12.7071
    12.9124  12.9769  13.2052  13.2358  13.3715  15.0510  15.2506  16.2897
    16.4490  16.5690  17.7165  17.7933  19.6725  21.3532  22.7417  25.1906
    25.5734  25.7351  28.5306

          k =-0.6000-0.2000 0.8040 (  915 PWs)   bands (ev):

   -62.1257 -30.9500 -30.9466 -30.9446   0.1923   0.2056   0.2187   0.2274
     0.2443   7.3635   9.4485  10.7039  11.8282  12.0937  12.5779  12.7734
    12.9527  13.0282  13.2072  13.2546  13.4607  14.8309  14.9777  15.9957
    16.3971  16.5721  17.0767  17.2521  20.0407  22.2873  23.4040  24.5758
    25.6223  27.1279  28.6558

          k =-0.7000-0.1000 0.9045 (  923 PWs)   bands (ev):

   -62.1260 -30.9497 -30.9474 -30.9450   0.1836   0.2129   0.2199   0.2233
     0.2467   7.5633   9.5470  10.7383  11.5996  12.3297  12.5304  12.8010
    12.9642  12.9880  13.1431  13.3744  13.5478  14.6533  14.6876  15.6875
    16.3977  16.5214  16.6524  17.0539  19.9444  21.7466  23.9802  25.7124
    26.5867  28.3511  29.3386

          k = 0.2000-1.0000 0.0000 (  924 PWs)   bands (ev):

   -62.1261 -30.9494 -30.9478 -30.9451   0.1764   0.2152   0.2195   0.2250
     0.2486   7.6589   9.2758  11.2129  11.4780  12.5088  12.5668  12.8014
    12.8811  12.8850  13.2603  13.4860  13.6202  14.4618  14.6246  15.4349
    16.2902  16.4605  16.5545  17.0635  19.4509  20.9498  25.8953  26.1739
    27.8433  28.7314  29.0504

          k =-0.4000-0.2000 0.6030 (  912 PWs)   bands (ev):

   -62.1257 -30.9501 -30.9455 -30.9445   0.1938   0.2049   0.2120   0.2331
     0.2425   6.7013   9.5313  11.2200  11.7465  12.2259  12.5809  12.6986
    12.8796  13.0545  13.1979  13.3087  13.5011  14.8829  15.4263  16.2283
    16.5032  16.6600  17.6736  18.0473  19.8002  21.3393  22.7143  23.7651
    25.2281  26.7474  27.8261

          k =-0.5000-0.1000 0.7035 (  917 PWs)   bands (ev):

   -62.1258 -30.9503 -30.9460 -30.9449   0.1977   0.2008   0.2174   0.2294
     0.2429   7.2229   9.6330  10.6205  11.7926  12.0602  12.6518  12.7254
    12.9505  13.0242  13.1540  13.3367  13.4569  14.6644  15.2397  16.1830
    16.2848  16.6539  16.9865  17.5114  20.0874  22.1544  23.5561  24.5809
    25.4096  26.3134  27.5602

          k =-0.6000 0.0000 0.8040 (  917 PWs)   bands (ev):

   -62.1258 -30.9500 -30.9467 -30.9449   0.1915   0.2064   0.2216   0.2240
     0.2448   7.6074   9.9010  10.0918  11.6840  12.1665  12.5749  12.8127
    12.9878  13.0393  13.1126  13.3455  13.4204  14.6102  14.9401  15.9070
    16.3275  16.6369  16.7807  17.0416  20.0990  23.3061  23.6244  23.8776
    26.4077  26.5568  29.2504

          k =-0.3000-0.1000 0.5025 (  914 PWs)   bands (ev):

   -62.1258 -30.9499 -30.9448 -30.9444   0.1918   0.2063   0.2096   0.2303
     0.2399   5.9519  10.2784  11.4575  11.6744  12.2091  12.4451  12.6232
    13.0312  13.1413  13.3144  13.5182  13.6957  14.6519  15.6476  16.0305
    16.5051  17.2103  17.8429  18.3354  20.2040  21.3066  22.0534  22.9926
    24.6127  25.6833  27.9613

          k =-0.4000 0.0000 0.6030 (  912 PWs)   bands (ev):

   -62.1256 -30.9502 -30.9452 -30.9446   0.1944   0.2042   0.2141   0.2303
     0.2413   6.5815  10.0384  10.9944  11.6905  12.1258  12.6094  12.6889
    12.8831  13.0313  13.2339  13.4490  13.6025  14.5460  15.5655  16.0437
    16.4750  16.8743  17.1327  17.9426  20.2071  21.9643  22.1886  24.2887
    24.8333  26.9298  27.6982

          k =-0.2000 0.0000 0.4020 (  917 PWs)   bands (ev):

   -62.1259 -30.9494 -30.9442 -30.9441   0.1913   0.2057   0.2060   0.2283
     0.2362   5.3335  10.7239  11.5831  11.7111  12.1326  12.2728  12.8003
    13.2277  13.2484  13.5063  13.7020  14.0564  14.4777  15.5314  16.1136
    16.5238  17.8651  18.2132  18.6887  20.7342  21.2342  21.2820  22.6665
    23.6868  25.0345  26.3920

          k = 0.0000 0.0000 0.4020 (  913 PWs)   bands (ev):

   -62.1258 -30.9493 -30.9439 -30.9439   0.1886   0.2067   0.2067   0.2258
     0.2354   5.1622  10.7586  11.7536  11.7536  12.1042  12.1422  12.8073
    13.2970  13.2970  13.6434  14.2299  14.2496  14.2496  15.1633  16.0639
    16.5254  18.0682  18.4562  18.4562  20.2139  20.8580  22.4376  22.4376
    23.5783  25.7304  26.2932

          k =-0.1000 0.1000 0.5025 (  913 PWs)   bands (ev):

   -62.1258 -30.9499 -30.9443 -30.9443   0.1863   0.2100   0.2107   0.2254
     0.2395   5.6307  10.4465  11.7260  11.8553  12.2175  12.2320  12.5205
    13.2443  13.2530  13.5253  13.7920  13.8426  14.5125  15.3336  15.8333
    16.4509  17.6396  17.9935  18.0203  19.7984  21.0146  22.5960  22.9041
    25.0132  26.2337  27.0300

          k =-0.2000 0.2000 0.6030 (  908 PWs)   bands (ev):

   -62.1255 -30.9502 -30.9449 -30.9444   0.1873   0.2103   0.2131   0.2271
     0.2433   6.3002   9.9883  11.3646  11.9197  12.2113  12.3903  12.5509
    13.1396  13.1652  13.2083  13.4270  13.6475  14.8019  15.3031  15.8892
    16.4469  16.9365  17.7215  17.7891  19.5868  21.9205  22.5476  22.9847
    25.7426  27.3865  27.8755

          k = 0.7000-0.7000-0.3015 (  915 PWs)   bands (ev):

   -62.1257 -30.9506 -30.9457 -30.9445   0.1909   0.2081   0.2138   0.2302
     0.2447   7.0147   9.3341  11.0774  11.9099  12.1555  12.5251  12.7388
    12.9844  13.0175  13.2045  13.2129  13.4837  15.0807  15.0966  16.0460
    16.4940  16.5873  17.5591  17.6475  19.4159  22.4712  22.7978  23.4638
    25.8081  27.9818  28.1858

          k = 0.6000-0.6000-0.2010 (  922 PWs)   bands (ev):

   -62.1260 -30.9505 -30.9464 -30.9444   0.1954   0.2047   0.2129   0.2332
     0.2427   7.1653   9.2132  10.9928  11.7935  12.1318  12.6325  12.8005
    12.8637  13.0035  13.1937  13.2648  13.4038  14.8819  15.3525  16.2136
    16.4220  16.5969  17.3770  17.9528  19.3119  22.4598  22.5662  25.2676
    25.5813  26.0122  26.4700

          k = 0.5000-0.5000-0.1005 (  911 PWs)   bands (ev):

   -62.1256 -30.9494 -30.9464 -30.9441   0.1976   0.2029   0.2104   0.2351
     0.2385   6.5301   9.9026  11.1004  11.6315  12.1526  12.6700  12.7519
    12.7757  13.0001  13.3153  13.3247  13.5746  14.6800  15.6495  16.2117
    16.4883  16.8074  17.3980  18.5559  19.2680  22.4154  22.4248  24.0022
    24.2711  26.1109  27.5688

          k = 0.4000-0.4000 0.0000 (  917 PWs)   bands (ev):

   -62.1259 -30.9488 -30.9462 -30.9438   0.1957   0.2043   0.2064   0.2345
     0.2351   5.8222  10.4698  11.4839  11.5055  12.1555  12.4744  12.7567
    12.8993  13.1080  13.4182  13.4808  13.7836  14.5462  15.9198  15.9845
    16.5408  17.4302  17.6912  19.2477  19.3247  22.1013  22.2787  22.9411
    23.0283  25.4449  28.0040

          k = 1.0000-0.2000-0.6030 (  918 PWs)   bands (ev):

   -62.1258 -30.9492 -30.9465 -30.9457   0.1912   0.2054   0.2216   0.2247
     0.2442   7.3640   9.7727  10.5993  11.6079  12.1969  12.6015  12.7280
    12.9302  13.0814  13.0929  13.4284  13.4767  14.5686  14.8917  16.0055
    16.3463  16.5903  16.7292  17.1769  20.8882  22.1354  22.4283  25.5169
    26.1644  27.1565  28.9896

          k = 0.9000-0.1000-0.5025 (  916 PWs)   bands (ev):

   -62.1258 -30.9490 -30.9464 -30.9460   0.1978   0.1989   0.2229   0.2243
     0.2443   7.6405   9.8397  10.2593  11.5034  12.2474  12.6525  12.6779
    12.9790  13.0189  13.1125  13.3494  13.4519  14.6628  14.6990  16.1271
    16.2076  16.5807  16.7077  17.0014  21.1280  22.3447  23.4754  23.6248
    26.5805  28.1631  29.1760

          k =-0.6000-0.4000 1.0050 (  916 PWs)   bands (ev):

   -62.1258 -30.9495 -30.9466 -30.9442   0.1943   0.2041   0.2141   0.2305
     0.2408   6.5688  10.0478  11.0119  11.6820  12.1201  12.5979  12.6959
    12.8823  13.0263  13.2500  13.4564  13.5999  14.5755  15.5508  16.0380
    16.4786  16.8699  17.1360  17.8997  20.2058  21.9815  22.2305  24.3012
    24.7784  26.9798  27.6173

          k = 0.0000-1.0000 0.4020 (  916 PWs)   bands (ev):

   -62.1258 -30.9489 -30.9470 -30.9458   0.1898   0.2064   0.2213   0.2246
     0.2455   7.7386   9.7485  10.4523  11.3423  12.3861  12.5785  12.7458
    12.9582  12.9885  13.0441  13.4014  13.4966  14.5744  14.6145  15.9510
    16.2989  16.5160  16.5896  16.9526  20.9892  22.0921  23.6086  23.9382
    28.1152  28.6192  28.6608

          k =-0.5000-0.3000 0.9045 (  919 PWs)   bands (ev):

   -62.1259 -30.9501 -30.9467 -30.9445   0.1977   0.2009   0.2174   0.2291
     0.2429   7.2136   9.6434  10.6353  11.7815  12.0582  12.6631  12.7140
    12.9438  13.0219  13.1681  13.3381  13.4564  14.6936  15.2179  16.1799
    16.2835  16.6509  16.9915  17.4852  20.0745  22.1789  23.5991  24.5552
    25.3475  26.2832  27.5939

          k =-0.6000-0.2000 1.0050 (  912 PWs)   bands (ev):

   -62.1256 -30.9496 -30.9469 -30.9445   0.1912   0.2053   0.2220   0.2239
     0.2448   7.3616   9.7760  10.6121  11.6156  12.1881  12.5957  12.7293
    12.9383  13.0691  13.1067  13.4250  13.4835  14.5963  14.8919  15.9820
    16.3303  16.5911  16.7303  17.1776  20.8377  22.1131  22.3535  25.4261
    26.2524  27.1856  29.0673

          k =-0.4000-0.2000 0.8040 (  917 PWs)   bands (ev):

   -62.1258 -30.9508 -30.9460 -30.9446   0.1923   0.2057   0.2187   0.2269
     0.2449   7.3709   9.4471  10.7082  11.8250  12.0927  12.5897  12.7617
    12.9605  13.0240  13.2074  13.2501  13.4579  14.8363  14.9759  15.9948
    16.3924  16.5684  17.0721  17.2550  20.0155  22.3105  23.3495  24.5500
    25.6699  27.1608  28.6108

          k =-0.5000-0.1000 0.9045 (  916 PWs)   bands (ev):

   -62.1258 -30.9504 -30.9464 -30.9447   0.1978   0.1989   0.2231   0.2234
     0.2453   7.6441   9.8438  10.2642  11.5174  12.2379  12.6487  12.6781
    12.9895  13.0186  13.1152  13.3419  13.4569  14.6708  14.7192  16.1028
    16.1844  16.5800  16.7080  17.0068  21.0597  22.2856  23.4171  23.5692
    26.6508  28.2399  29.2656

          k = 0.4000-1.0000 0.0000 (  916 PWs)   bands (ev):

   -62.1258 -30.9499 -30.9470 -30.9448   0.1899   0.2062   0.2204   0.2250
     0.2462   7.7401   9.7427  10.4649  11.3565  12.3776  12.5732  12.7468
    12.9670  12.9783  13.0592  13.3949  13.5041  14.6017  14.6131  15.9246
    16.2766  16.5179  16.5919  16.9571  20.9492  22.0687  23.5114  23.8521
    28.2193  28.6787  28.7730

          k =-0.3000-0.1000 0.7035 (  915 PWs)   bands (ev):

   -62.1258 -30.9508 -30.9452 -30.9447   0.1870   0.2100   0.2180   0.2249
     0.2449   6.8204   9.8061  11.0947  11.8425  12.1433  12.5061  12.6435
    13.0210  13.0872  13.1671  13.4357  13.5959  14.6273  15.1836  15.8097
    16.4328  16.7050  17.1029  17.4742  19.9855  21.8176  22.4956  24.5774
    26.6531  27.7590  28.0261

          k =-0.4000 0.0000 0.8040 (  916 PWs)   bands (ev):

   -62.1258 -30.9509 -30.9457 -30.9447   0.1912   0.2055   0.2220   0.2236
     0.2453   7.3746   9.7804  10.5902  11.6258  12.1887  12.6088  12.7158
    12.9438  13.0835  13.0852  13.4221  13.4783  14.5660  14.9240  15.9806
    16.3257  16.5925  16.7247  17.1884  20.8096  22.0735  22.3701  25.4839
    26.2223  27.2438  29.0735

          k =-0.2000 0.0000 0.6030 (  917 PWs)   bands (ev):

   -62.1259 -30.9504 -30.9449 -30.9446   0.1846   0.2118   0.2151   0.2242
     0.2428   6.1523  10.1501  11.6407  11.8263  12.1836  12.3812  12.4488
    13.1649  13.2006  13.3149  13.6474  13.7466  14.4485  15.5036  15.5320
    16.4074  17.2418  17.3844  17.7139  19.8067  21.0537  22.6421  24.0781
    25.7881  27.1912  28.3094

          k = 0.0000 0.0000 0.6030 (  918 PWs)   bands (ev):

   -62.1259 -30.9506 -30.9447 -30.9447   0.1807   0.2155   0.2155   0.2211
     0.2427   5.9987  10.1651  12.0452  12.0452  12.1060  12.1878  12.2866
    13.2256  13.2256  13.6334  13.8680  13.8680  14.2207  15.1915  15.3960
    16.3498  17.4869  17.4869  17.6397  19.1388  20.6553  23.9499  23.9499
    25.7744  28.1647  28.3667

          k =-0.1000 0.1000 0.7035 (  917 PWs)   bands (ev):

   -62.1259 -30.9511 -30.9449 -30.9449   0.1793   0.2170   0.2187   0.2201
     0.2459   6.5634   9.8662  11.6245  11.9923  12.1739  12.3984  12.4014
    13.1386  13.1623  13.4344  13.5637  13.7198  14.4281  15.0926  15.3568
    16.3095  16.9464  17.1263  17.4266  19.2141  20.8331  24.3024  24.5330
    27.1738  28.4818  28.7845

          k = 0.8000-0.8000-0.2010 (  916 PWs)   bands (ev):

   -62.1258 -30.9512 -30.9453 -30.9448   0.1826   0.2153   0.2197   0.2213
     0.2471   7.1989   9.5936  10.9655  11.8818  12.1955  12.4968  12.6935
    13.0349  13.0869  13.2127  13.2857  13.5995  14.7597  14.8695  15.5756
    16.3983  16.6078  16.9376  17.2159  19.4282  21.6999  24.2135  24.5429
    27.6416  28.2081  28.5643

          k = 0.7000-0.7000-0.1005 (  919 PWs)   bands (ev):

   -62.1259 -30.9509 -30.9460 -30.9449   0.1893   0.2106   0.2185   0.2248
     0.2453   7.5135   9.5865  10.4078  11.8742  12.0499  12.5598  12.8777
    12.9947  13.0285  13.1052  13.3114  13.4230  14.7088  15.0986  15.7808
    16.4194  16.5993  17.0012  17.1380  19.4702  23.2483  24.0618  24.2993
    25.8903  26.1371  28.3061

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

   -62.1257 -30.9501 -30.9466 -30.9443   0.1966   0.2042   0.2152   0.2302
     0.2418   7.1504   9.9110  10.3700  11.8215  11.9896  12.6360  12.8621
    12.9038  12.9620  13.1981  13.3123  13.4837  14.6221  15.4191  16.1195
    16.2980  16.8306  16.8355  17.7478  19.4078  23.7030  23.8410  24.2167
    24.5282  25.2872  27.8061

          k =-0.4000-0.2000 1.0050 (  916 PWs)   bands (ev):

   -62.1258 -30.9507 -30.9461 -30.9448   0.1916   0.2066   0.2217   0.2234
     0.2453   7.6074   9.9251  10.0898  11.6759  12.1597  12.5876  12.7988
    12.9952  13.0584  13.0931  13.3412  13.4203  14.6428  14.9121  15.9029
    16.3222  16.6322  16.7768  17.0340  20.0720  23.2526  23.6607  23.9187
    26.3786  26.4906  29.3096

          k =-0.3000-0.1000 0.9045 (  917 PWs)   bands (ev):

   -62.1258 -30.9513 -30.9456 -30.9448   0.1837   0.2132   0.2193   0.2234
     0.2475   7.5768   9.5655  10.7262  11.6018  12.3216  12.5425  12.7914
    12.9689  13.0029  13.1249  13.3644  13.5432  14.6304  14.7170  15.6784
    16.3935  16.5170  16.6419  17.0573  19.9075  21.7015  24.0180  25.7590
    26.5357  28.3296  29.3392

          k = 0.6000-1.0000 0.0000 (  912 PWs)   bands (ev):

   -62.1256 -30.9512 -30.9457 -30.9447   0.1899   0.2065   0.2200   0.2251
     0.2467   7.7471   9.7686  10.4414  11.3582  12.3729  12.5864  12.7316
    12.9737  13.0022  13.0354  13.3885  13.5008  14.5712  14.6463  15.9196
    16.2747  16.5167  16.5860  16.9581  20.9120  22.0292  23.5515  23.8923
    28.1783  28.7002  28.7363

          k =-0.2000 0.0000 0.8040 (  919 PWs)   bands (ev):

   -62.1259 -30.9513 -30.9452 -30.9450   0.1789   0.2162   0.2191   0.2224
     0.2478   7.1086   9.6226  11.3321  11.7242  12.3161  12.4885  12.5867
    13.0633  13.0633  13.2320  13.5332  13.6315  14.4412  14.8739  15.4587
    16.3076  16.6687  16.7665  17.2336  19.4701  20.9434  24.2837  25.9741
    27.5563  28.4575  29.5900

          k = 0.0000 0.0000 0.8040 (  914 PWs)   bands (ev):

   -62.1258 -30.9514 -30.9450 -30.9450   0.1742   0.2145   0.2225   0.2225
     0.2487   6.9991   9.5617  11.7428  11.7883  12.3997  12.3997  12.4493
    13.0636  13.0636  13.6271  13.6271  13.6628  14.2133  14.8378  15.1715
    16.1917  16.7741  16.7741  17.2436  18.8608  20.5720  25.8655  25.8655
    27.6553  29.3014  30.3089

          k = 0.9000-0.9000-0.1005 (  927 PWs)   bands (ev):

   -62.1262 -30.9521 -30.9452 -30.9452   0.1748   0.2138   0.2226   0.2237
     0.2497   7.4719   9.3404  11.3500  11.6498  12.4844  12.5228  12.6618
    12.9454  12.9713  13.4110  13.4449  13.6551  14.4069  14.7068  15.2787
    16.2356  16.5608  16.5808  17.1228  19.0876  20.7650  26.2225  26.3822
    28.0514  28.5192  29.5272

          k = 0.8000-0.8000 0.0000 (  926 PWs)   bands (ev):

   -62.1262 -30.9516 -30.9455 -30.9453   0.1808   0.2175   0.2180   0.2224
     0.2483   7.6802   9.4636  10.6759  11.6859  12.3473  12.5256  12.8927
    12.9335  12.9629  13.2397  13.2693  13.5426  14.6573  14.7582  15.4787
    16.4665  16.5343  16.5541  17.0126  19.4119  21.6326  25.9511  25.9900
    26.1727  26.6358  30.0197

          k = 0.8000-1.0000 0.0000 (  922 PWs)   bands (ev):

   -62.1260 -30.9520 -30.9453 -30.9450   0.1767   0.2144   0.2200   0.2251
     0.2496   7.6760   9.3027  11.1941  11.4871  12.5210  12.5527  12.7770
    12.8946  12.9091  13.2407  13.4653  13.6156  14.4397  14.6590  15.4179
    16.2913  16.4547  16.5386  17.0637  19.4103  20.9112  25.9477  26.2164
    27.7936  28.6456  29.0519

          k = 0.0000 0.0000-1.0050 (  934 PWs)   bands (ev):

   -62.1264 -30.9525 -30.9453 -30.9453   0.1716   0.2114   0.2251   0.2251
     0.2509   7.6337   9.1406  11.5473  11.5850  12.5159  12.6823  12.6823
    12.8551  12.8551  13.5537  13.5537  13.6773  14.2104  14.6608  15.1580
    16.1266  16.5097  16.5097  17.1094  18.8277  20.5499  27.6528  27.6528
    28.4987  28.6022  28.6022

     the Fermi energy is    14.8755 ev

!    total energy              =  -559.02037026 ryd
     estimated scf accuracy    <     0.00000001 ryd

     band energy sum           =     2.81541908 ryd
     one-electron contribution =  -181.39159692 ryd
     hartree contribution      =   143.62646052 ryd
     xc contribution           =  -132.57449875 ryd
     ewald contribution        =  -388.68073511 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
   0.00000328   0.00000000   0.00000000          0.48      0.00      0.00
   0.00000000   0.00000328   0.00000000          0.00      0.48      0.00
   0.00000000   0.00000000  -0.00000656          0.00      0.00     -0.97


     Writing file nmg_t-0.5.save for program phonon
 
     PWSCF        : 32m39.71s CPU time

     init_run     :    44.85s CPU
     electrons    :  1860.63s CPU
     stress       :    53.88s CPU
 
     electrons    :  1860.63s CPU
     c_bands      :  1333.50s CPU (      14 calls,  95.250 s avg)
     sum_band     :   465.28s CPU (      14 calls,  33.234 s avg)
     v_of_rho     :    23.46s CPU (      29 calls,   0.809 s avg)
     newd         :    37.02s CPU (      15 calls,   2.468 s avg)
     mix_rho      :     3.44s CPU (      14 calls,   0.246 s avg)
 
     c_bands      :  1333.50s CPU (      14 calls,  95.250 s avg)
     init_us_2    :    25.13s CPU (    6120 calls,   0.004 s avg)
     cegterg      :  1300.52s CPU (    2856 calls,   0.455 s avg)
 
     sum_band     :   465.28s CPU (      14 calls,  33.234 s avg)
     becsum       :     0.68s CPU (    2856 calls,   0.000 s avg)
     addusdens    :    38.11s CPU (      14 calls,   2.722 s avg)
 
     wfcrot       :    31.47s CPU (     204 calls,   0.154 s avg)
     cegterg      :  1300.52s CPU (    2856 calls,   0.455 s avg)
     h_psi        :   839.56s CPU (    8781 calls,   0.096 s avg)
     g_psi        :     9.03s CPU (    5721 calls,   0.002 s avg)
     overlap      :   126.66s CPU (    5721 calls,   0.022 s avg)
     cdiaghg      :   108.00s CPU (    5925 calls,   0.018 s avg)
     update       :    60.25s CPU (    5721 calls,   0.011 s avg)
     last         :    24.84s CPU (    2856 calls,   0.009 s avg)
 
     h_psi        :   839.56s CPU (    8781 calls,   0.096 s avg)
     init         :     7.14s CPU (    8781 calls,   0.001 s avg)
     firstfft     :   343.24s CPU (  240937 calls,   0.001 s avg)
     secondfft    :   333.94s CPU (  240937 calls,   0.001 s avg)
     add_vuspsi   :    45.12s CPU (    8781 calls,   0.005 s avg)
     s_psi        :    48.70s CPU (    8781 calls,   0.006 s avg)
 
     General routines
     ccalbec      :   111.94s CPU (   11841 calls,   0.009 s avg)
     cft3         :    14.18s CPU (     779 calls,   0.018 s avg)
     cft3s        :   804.01s CPU (  581892 calls,   0.001 s avg)
     interpolate  :     1.53s CPU (      58 calls,   0.026 s avg)
     davcio       :    11.70s CPU (    8976 calls,   0.001 s avg)
 
