Match Hartree energy
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss-opt-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)