ALATBASIS=        5.451851681818
BRAVAIS
       1.000000000000        0.000000000000        0.000000000000
       0.500000000000        0.866025403784        0.000000000000
       0.000000000000        0.000000000000        9.797958971133
NAEZ= 12
CARTESIAN= True

<RBASIS>
       0.000000000000        0.000000000000       -2.449489742783
      -0.500000000000        0.288675134595       -1.632993161855
      -0.500000000000       -0.288675134595       -0.816496580928
       0.000000000000        0.000000000000        0.000000000000
      -0.500000000000        0.288675134595        0.816496580928
      -0.500000000000       -0.288675134595        1.632993161855
       0.000000000000        0.000000000000        2.449489742783
      -0.500000000000        0.288675134595        3.265986323711
      -0.500000000000       -0.288675134595        4.082482904639
       0.000000000000        0.000000000000        4.898979485566
      -0.500000000000        0.288675134595        5.715476066494
      -0.500000000000       -0.288675134595        6.531972647422

INTERFACE= True
<NLBASIS>= 3
<RBLEFT>
       0.000000000000        0.000000000000       -4.898979485566
      -0.500000000000        0.288675134595       -4.082482904639
      -0.500000000000       -0.288675134595       -3.265986323711
ZPERIODL=        0.000000000000        0.000000000000       -2.449489742783

<NRBASIS>= 3
<RBRIGHT>
       0.000000000000        0.000000000000        7.348469228350
      -0.500000000000        0.288675134595        8.164965809277
      -0.500000000000       -0.288675134595        8.981462390205
ZPERIODR=        0.000000000000        0.000000000000        2.449489742783

KSHAPE= 2
<SHAPE>
1
1
1
1
1
1
1
1
1
1
1
1

NSPIN= 2
<ZATOM>
       0.000000000000
       0.000000000000
       0.000000000000
      79.000000000000
      79.000000000000
      79.000000000000
      79.000000000000
      79.000000000000
      79.000000000000
       0.000000000000
       0.000000000000
       0.000000000000

LINIPOL= False
HFIELD=        0.000000000000
LMAX= 2
BZDIVIDE= 30 30 30

EMIN=       -0.500000000000
TEMPR=      600.000000000000
NPT1= 7
NPT2= 29
NPT3= 7
NPOL= 5
RCLUSTZ=        2.238850216056
INS= 1
RMAX=       10.000000000000
GMAX=      100.000000000000

NSTEPS= 200
IMIX= 5
STRMIX=        0.010000000000
BRYMIX=        0.010000000000
QBOUND= 1.000000e-08

