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
16XCFunctional = lda_c_hl
17%Occupations
180.8
190.2
20%
21
22FilterPotentials = filter_none
23
24StatesPack = yes
25