Match Free energy
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_min_autotools: [foss2022a-mpi] >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-7.004666163400000e+02 | -7.004666319500001e+02 | 1.720000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Free =', 3)