Match Hartree energy
Commits >
Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 >
Run intel-2022b >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
4.641776925000000e+01 | 4.641776690000000e+01 | 7.890000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)