Match Hartree energy
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] >
Input 05-lithium.01-gs.inp
Value | Reference | Precision | Status |
7.485500000000000e-04 | 7.485500000000001e-04 | 3.740000000000000e-16 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)