Match Hartree energy
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run foss_ppc_autotools: [foss2022a-serial] >
Input 18-TiO2.01-gs.inp
| Value | Reference | Precision | Status |
| 4.244778692000000e+01 | 4.244778686000000e+01 | 1.190000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)