Match Hartree energy
Commits >
Commit 0b4356d4fa228266301da10567cd10de2d19abc0 >
Run foss-2022a_opt >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
4.641777360000000e+01 | 4.641776690000000e+01 | 7.890000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)