Match Total energy
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss-mpi-min: [foss2022a-mpi] >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
-2.657328986400000e+02 | -2.657328987200000e+02 | 1.330000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)