1CalculationMode = gs
2
3%Coordinates
4 'H' |  0.717157 | 0 | 0
5 'H' | -0.717157 | 0 | 0
6%
7
8MaximumIter = 0
9
10SpinComponents = spin_polarized
11
12ExcessCharge = 1
13
14Spacing = 0.5
15
16%Occupations
170.8
180.2
19%
20
21XCFunctional = gga_x_pbek1_vdw
22
23FilterPotentials = filter_none
24
25StatesPack = yes
26