Match Hartree energy
Commits >
Commit 94d58911903c32860449c62a795f2d74d19217f9 >
Run foss_opt_autotools: [foss2023a-serial] >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
6.828467793999999e+01 | 6.828467759000000e+01 | 1.900000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)