1CalculationMode = gs
2
3MaximumIter = 0
4Dimensions = 2
5
6lambda = 2.0
7omega = 1/lambda^2
8
9%Species
10"qd" | species_user_defined | potential_formula | "0.5*omega^2*r^2" | valence | 2
11%
12
13%Coordinates
14"qd" | 0 | 0
15%
16
17ExtraStates = 1
18
19%Occupations
201 | 1
210 | 0
22%
23
24BoxShape = sphere
25Radius = 10.0
26Spacing = 0.2
27
28DerivativesOrder = 4
29
30SpinComponents = spin_polarized
31
32XCFunctional = gga_x_2d_b86_mgc
33
34
35
36StatesPack = yes
37