Match Total energy
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-min-parallel: [intel2022a-mpi] >
Input 01-hydrogen.01-ground_state.inp
Value | Reference | Precision | Status |
-6.697860300000000e-01 | -6.697860300000000e-01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)