RUNOPT
deci-out
ALATBASIS=        5.451851680000
BRAVAIS
       1.000000000333        0.000000000000        0.000000000000
       0.500000000167        0.866025404073        0.000000000000
       0.000000000000        0.000000000000        2.449489743600
NAEZ= 3
CARTESIAN= True

<RBASIS>
       0.000000000000        0.000000000000        2.449489743600
      -0.500000000167        0.288675134691        3.265986324800
      -0.500000000167       -0.288675134691        4.082482906000

KSHAPE= 2
NSPIN= 2
<ZATOM>
      79.000000000000
      79.000000000000
      79.000000000000

LINIPOL= False
HFIELD=        0.000000000000
LMAX= 2
BZDIVIDE= 30 30 5

TEMPR=      600.000000000000
NPT1= 7
NPT2= 29
NPT3= 7
NPOL= 5
RCLUSTZ=        2.000000000000
INS= 1
RMAX=       10.000000000000
GMAX=      100.000000000000

NSTEPS= 1
IMIX= 5
STRMIX=        0.010000000000
BRYMIX=        0.010000000000
QBOUND= 1.000000e-08

