Match Hartree energy
Commits >
Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 >
Run foss-2022a_mpi_omp >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
2.714909395650000e+03 | 2.714909395650000e+03 | 1.360000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)