Match Hartree energy
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss-serial-full: [foss2023a-serial] >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788829020999999e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)