Match Initial energy
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run spack_foss-2023a_mpi >
Input 22-td_move_ions_periodic.01-gs.inp
Value | Reference | Precision | Status |
-2.965691066000000e+01 | -2.965691066000000e+01 | 1.480000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)