Match Initial energy
Commits >
Commit b21946569e0fd76bd0c736308c1aade8f51fa7e4 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi] >
Input 12-tddft-currents-to-maxwell.01-benzene-gs.inp
Value | Reference | Precision | Status |
-3.744576714000000e+01 | -3.744576068000000e+01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(benzene/static/info, 'Total =', 3)