Match Hartree energy
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_min_autotools: [foss2023a-serial] >
Input 18-TiO2.02-gs_kerker.inp
Value | Reference | Precision | Status |
4.172762507000000e+01 | 4.172762507000000e+01 | 2.090000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)