Input 05-output.01-gs-set1.inp
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run foss-serial-full: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| step 2 potential files | 7.000000000000000e+00 | 7.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| step 3 density files | 4.000000000000000e+00 | 4.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| step 5 wfs files | 2.000000000000000e+00 | 2.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| step 7 wfs_sqmod files | 4.000000000000000e+00 | 4.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| step 11 geometry files | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| step 13 current files | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| step 17 ELF files | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| step 19 ELF_basins files | 3.000000000000000e+00 | 3.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| step 23 Bader files | 3.000000000000000e+00 | 3.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| step 29 el_pressure files | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| step 31 matrix_elements files | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |