RUNOPT
qdos    
ALATBASIS=        4.823819747883
BRAVAIS
       0.000000000000        0.707106781187        0.707106781187
       0.707106781187        0.000000000000        0.707106781187
       0.707106781187        0.707106781187        0.000000000000
NAEZ= 1
CARTESIAN= True

<RBASIS>
       0.000000000000        0.000000000000        0.000000000000

KSHAPE= 2
<SHAPE>
1

NSPIN= 1
<ZATOM>
      29.000000000000

LINIPOL= False
HFIELD=        0.000000000000
LMAX= 2
BZDIVIDE= 1 1 1

EMIN=       -0.092276291413
EMAX=        1.010203373856
TEMPR=       50.000000000000
NPT1= 0
NPT2= 96
NPT3= 0
NPOL= 0
RCLUSTZ=        2.236067977500
INS= 1
RMAX=       10.000000000000
GMAX=      100.000000000000

NSTEPS= 50
IMIX= 5
STRMIX=        0.030000000000
BRYMIX=        0.050000000000
QBOUND= 1.000000e-08

IEMXD= 96
KPOIBZ= 1
<USE_SEMI_CIRCLE_CONTOUR>= False
