Match Hartree energy
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run foss-min-parallel: [foss2022a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
2.266259861000000e+01 | 2.266259827000000e+01 | 3.630000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)