Match Hartree energy
Commits >
Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 >
Run cmake_foss_2022a_full_mpi >
Input 18-TiO2.02-gs_kerker.inp
Value | Reference | Precision | Status |
4.172936841000000e+01 | 4.172936816000000e+01 | 1.910000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)