Match Hartree energy
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss_min_autotools: [foss2022a-serial] >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788829148000001e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)