Match Hartree energy
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run intel-serial: [intel2023a-serial] >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788829135000000e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)