ALATBASIS=        4.730949622881
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= 10 10 10

EMIN=       -0.500000000000
TEMPR=     1000.000000000000
NPT1= 3
NPT2= 11
NPT3= 3
NPOL= 7
RCLUSTZ=        1.732050807569
INS= 1
RMAX=        7.000000000000
GMAX=       65.000000000000

NSTEPS= 80
IMIX= 0
STRMIX=        0.030000000000
BRYMIX=        0.050000000000
QBOUND= 8.000000e-03

<RMTCORE>
       2.365474811440
