1ExperimentalFeatures = yes
2
3CalculationMode = gs
4
5Dimensions = 1
6DerivativesOrder = 1
7
8BoxShape = parallelepiped
9lsize = 5
10spacing = 0.1
11
12%Species
13 "Al3P" | species_user_defined | potential_formula  |  "-13/sqrt(x^2+1)" | valence | 10
14%
15
16%Coordinates
17"Al3P" | 0
18%
19
20SpinComponents = spin_polarized
21
22XCFunctional = oep_x
23OEPLevel = oep_kli
24
25ParKPoints = no
26ConvAbsEv = 5e-7
27ConvAbsDens = 5e-7
28
29
30
31StatesPack = yes
32