Match Hartree energy
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_foss-2023a_mpi_opt >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 2.266251668000000e+01 | 2.266251516000000e+01 | 1.930000000000000e-07 | FAIL |
Command: GREPFIELD(static/info, 'Hartree =', 3)