Match Initial energy
Commits >
Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d >
Run GCI_foss_autotools: [foss2023b-serial] >
Input 23-td_qedft_breit_pxlda_adiabatic.01-gs.inp
Value | Reference | Precision | Status |
-4.966259600000000e-01 | -4.966259600000000e-01 | 3.000000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)