Match Initial energy
Commits >
Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b >
Run spack_foss-2023a_mpi_opt >
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)