Match Hartree energy
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-ppc: [foss2022a-serial] >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 2.266259809000000e+01 | 2.266259827000000e+01 | 3.630000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)