Match Initial energy
Commits >
Commit a4341ac9f169107ec4cef5019cc6269df7c401ac >
Run spack_foss-2023a_mpi_debug >
Input 22-td_move_ions_periodic.01-gs.inp
Value | Reference | Precision | Status |
-2.965697183000000e+01 | -2.965697182000000e+01 | 1.480000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)