Match Hartree energy
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run spack_foss-2023a_mpi_min >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 2.266259840000000e+01 | 2.266259827000000e+01 | 1.430000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)