Match Initial energy
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss-mpi-omp-full: [foss2023a-mpi] >
Input 19-td_move_ions.01-gs.inp
Value | Reference | Precision | Status |
-2.964437820000000e+01 | -2.964437820000000e+01 | 1.480000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)