Match Initial energy
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Run spack_foss-2022a_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)