Match Total energy
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run cmake_foss_2022a_min_mpi >
Input 13-full_potential_hydrogen.02-gs-cg.inp
Value | Reference | Precision | Status |
-4.981084600000000e-01 | -4.981084600000000e-01 | 4.980000000000000e-16 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)