RUNOPT
ewald2d 
ALATBASIS= 5.239689
BRAVAIS
1.000000 0.000000 0.000000
0.000000 1.000000 0.000000
0.000000 0.000000 1.414214
NAEZ= 20
<RBASIS>
0.500000 0.500000 -2.121320
0.000000 0.000000 -1.414214
0.500000 0.500000 -0.707107
0.000000 0.000000 0.000000
0.500000 0.500000 0.707107
0.000000 0.000000 1.414214
0.500000 0.500000 2.121320
0.000000 0.000000 2.828427
0.500000 0.500000 3.568678
0.000000 0.000000 4.305638
0.500000 0.500000 5.039766
0.000000 0.000000 5.771983
0.500000 0.500000 6.506027
0.000000 0.000000 7.242840
0.500000 0.500000 8.002788
0.000000 0.000000 8.598179
0.500000 0.500000 9.193570
0.000000 0.000000 9.953517
0.500000 0.500000 10.690330
0.000000 0.000000 11.424375
CARTESIAN= True
INTERFACE= True
<NLBASIS>= 1
<RBLEFT>
0.000000 0.000000 -2.828427
ZPERIODL= 0.500000 0.500000 -0.707107
<NRBASIS>= 1
<RBRIGHT>
0.500000 0.500000 12.156591
ZPERIODR= 0.500000 0.500000 0.707107
KSHAPE= 0
<SHAPE>
1
2
3
3
3
1
2
4
5
6
7
8
9
10
11
12
13
14
15
16
<ZATOM>
0.000000
0.000000
0.000000
78.000000
78.000000
78.000000
78.000000
78.000000
78.000000
78.000000
78.000000
78.000000
78.000000
78.000000
78.000000
27.000000
0.000000
0.000000
0.000000
0.000000
NSPIN= 1
LINIPOL= True
HFIELD= 0.020000
XINIPOL= 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
LMAX= 2
BZDIVIDE= 10 10 10
EMIN= -0.500000
TEMPR= 1400.000000
NPT1= 3
NPT2= 11
NPT3= 3
NPOL= 7
RCLUSTZ= 2.873000
INS= 0
RMAX= 7.000000
GMAX= 65.000000
NSTEPS= 50
IMIX= 0
STRMIX= 0.030000
BRYMIX= 0.050000
QBOUND= 8.000000e-03
