Match Hartree energy
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_autotools: [foss2023b-serial] >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
6.827684757000000e+01 | 6.827684844000001e+01 | 3.660000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)