Match Hartree energy
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run GCI_foss_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)