Match Hartree-Fock energy
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 02-xc_2d.02-hf.inp
Value | Reference | Precision | Status |
3.718757500000000e-01 | 3.718757300000000e-01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)