ALATBASIS=      4.82953931550399
BRAVAIS
     0.70710678118655      0.70710678118655      0.00000000000000
     0.70710678118655      0.00000000000000      0.70710678118655
     0.00000000000000      0.70710678118655      0.70710678118655
NAEZ= 1
CARTESIAN= True

<RBASIS>
     0.00000000000000      0.00000000000000      0.00000000000000

KSHAPE= 2
<SHAPE>
1

NSPIN= 1
<ZATOM>
    29.00000000000000

LINIPOL= False
HFIELD=      0.00000000000000
LMAX= 2
BZDIVIDE= 30 30 30

EMIN=     -0.50000000000000
TEMPR=    600.00000000000000
NPT1= 7
NPT2= 29
NPT3= 7
NPOL= 5
RCLUSTZ=      1.90000000000000
INS= 1
RMAX=      7.00000000000000
GMAX=     65.00000000000000

NSTEPS= 50
IMIX= 5
STRMIX=      0.03000000000000
BRYMIX=      0.05000000000000
QBOUND= 1.000000e-04

