ALATBASIS= 5.423514
BRAVAIS
1.000000 0.000000 0.000000
0.500000 0.707107 0.000000
0.000000 0.000000 0.348432
NAEZ= 6
<RBASIS>
0.000000 0.707107 0.000000
0.000000 0.000000 0.707107
0.000000 0.707107 1.414214
0.000000 0.000000 2.121320
0.000000 0.707107 2.828427
0.000000 0.000000 3.535534
CARTESIAN= True
INTERFACE= True
<NLBASIS>= 1
<RBLEFT>
0.000000 1.414214 -0.707107
ZPERIODL= 0.000000 0.707107 -0.707107
<NRBASIS>= 1
<RBRIGHT>
0.000000 -0.707107 4.242641
ZPERIODR= 0.000000 -0.707107 0.707107
<SHAPE>
1
1
1
1
1
1
<ZATOM>
0.000000
0.000000
26.000000
26.000000
0.000000
0.000000
NSPIN= 2
LMAX= 2
EMIN= -0.600000
RCLUSTZ= 1.500000
RMAX= 7.000000
GMAX= 65.000000


NSTEPS=  10
IMIX=    0
STRMIX=  1.000000000000000E-002

HFIELD=0.02
INIPOL=T
XINIPOL=1*6
