1# -*- coding: utf-8 mode: shell-script -*-
2
3Test       : KS Inversion
4Program    : octopus
5TestGroups : short-run, functionals
6Enabled    : Yes
7
8Processors: 1
9
10Input: 05-ks_inversion.01-target_density.inp
11match ; SCF convergence                          ; GREPCOUNT(static/info, 'SCF converged') ; 1
12match ; Density value 1                          ; LINEFIELD(static/density.y=0\,z=0,    2, 2) ;  7.08858456238250E-015
13match ; Density value 2                          ; LINEFIELD(static/density.y=0\,z=0,  301, 2) ;  8.86969906323769E-001
14
15# not implemented in parallel
16
17Precision : 2E-02
18Input: 05-ks_inversion.02-two_particle.inp
19match ; XC potential                             ; LINEFIELD(static/vxc.y=0\,z=0, 302, 2);  -0.480168843099003
20
21Precision : 9.0E-03
22Input: 05-ks_inversion.03-inversion.inp
23match ; KS inversion                             ; LINEFIELD(InvertKSconvergence,  19, 2) ; 0.00779439660595
24