Match Hartree energy
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 10-intersite.01-Na2.inp
Value | Reference | Precision | Status |
4.703058200000000e-01 | 4.703058300000000e-01 | 2.350000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)