Match Hartree energy
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss_autotools: [foss2022a-serial] >
Input 25-Fe_polarized.01-gs.inp
Value | Reference | Precision | Status |
6.510589376999999e+01 | 6.510589381000000e+01 | 3.590000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)