Match Initial energy
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] >
Input 24-adsic_freeze_orbitals.01-gs.inp
Value | Reference | Precision | Status |
-1.977413220000000e+00 | -1.977413220000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)