Match Initial energy
Commits >
Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c >
Run spack_foss-2022a_serial_debug >
Input 12-tddft-currents-to-maxwell.01-benzene-gs.inp
Value | Reference | Precision | Status |
-3.744576068000000e+01 | -3.744576068000000e+01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(benzene/static/info, 'Total =', 3)