Match Initial energy
Commits >
Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 24-adsic_freeze_orbitals.01-gs.inp
Value | Reference | Precision | Status |
-1.973057180000000e+00 | -1.973057180000000e+00 | 9.870000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)