ALATBASIS= 7.869273
BRAVAIS
1.000000 0.000000 0.000000
0.000000 1.000000 0.000000
0.000000 0.000000 1.000000
NAEZ= 4
<RBASIS>
0.000000 0.000000 0.000000
0.000000 0.500000 0.500000
0.500000 0.000000 0.500000
0.500000 0.500000 0.000000
CARTESIAN= True
<SHAPE>
1
1
1
1
<ZATOM>
47.000000
47.000000
47.000000
47.000000
NSPIN= 1
LMAX= 2
BZDIVIDE= 10 10 10
EMIN= -1.000000
EMAX= 1.000000
TEMPR= 200.000000
NPT1= 0
NPT2= 21
NPT3= 0
NPOL= 0
RCLUSTZ= 1.700000
RMAX= 7.000000
GMAX= 65.000000
