Match Initial energy
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-mpi-debug: [foss2023a-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)