ALATBASIS=        6.821911312903
BRAVAIS
       1.000000000000        0.000000000000        0.000000000000
       0.000000000000        1.000000000000        0.000000000000
       0.000000000000        0.000000000000        1.000000000000
NAEZ= 4
CARTESIAN= True

<RBASIS>
       0.000000000000        0.000000000000        0.000000000000
       0.500000000000        0.500000000000        0.000000000000
       0.500000000000        0.000000000000        0.500000000000
       0.000000000000        0.500000000000        0.500000000000

<SHAPE>
1
1
1
1

NSPIN= 2
<ZATOM>
      29.000000000000
      29.000000000000
      29.000000000000
      29.000000000000

LMAX= 2
EMIN=       -0.400000000000
EMAX=        1.000000000000
TEMPR=      600.000000000000
NPT1= 3
NPT2= 12
NPT3= 3
NPOL= 6
RCLUSTZ=        2.300000000000
RMAX=       10.000000000000
GMAX=       65.000000000000

NSTEPS= 500
IMIX= 5
STRMIX=        0.050000000000
QBOUND= 1.000000e-08

