1# -*- coding: utf-8 mode: shell-script -*-
2
3UnitsOutput = ev_angstrom
4
5Dimensions = 3
6PeriodicDimensions = 1
7
8CalculationMode = unocc
9
10FromScratch = yes
11
12%Species
13  "Na" | species_pseudo | lmax | 2 | lloc | 2
14%
15
16%Coordinates
17  "Na" |  -1.99932905*angstrom | 0.0 | 0.0
18%
19
20BoxShape = parallelepiped
21
22%Lsize
23 1.99932905*angstrom | 5.29*angstrom | 5.29*angstrom
24%
25
26%Spacing
27  1.99932905/6*angstrom | 0.3*angstrom | 0.3*angstrom
28%
29
30%KPoints
310.1 | 0.000000/angstrom | 0.000000| 0.000000
320.2 | 0.157132/angstrom | 0.000000| 0.000000
330.2 | 0.314265/angstrom | 0.000000| 0.000000
340.2 | 0.471397/angstrom | 0.000000| 0.000000
350.2 | 0.628529/angstrom | 0.000000| 0.000000
360.1 | 0.785662/angstrom | 0.000000| 0.000000
37%
38
39LCAOStart = lcao_none
40
41ExtraStates = 1
42
43ExperimentalFeatures = yes
44
45FilterPotentials = filter_none
46
47MixField = density
48StatesPack = yes
49