Match Hartree energy
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_autotools: [foss2023a-mpi] >
Input 18-TiO2.02-gs_kerker.inp
Value | Reference | Precision | Status |
4.172762505000000e+01 | 4.172762507000000e+01 | 2.090000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)