Match Hartree energy
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_opt_autotools: [foss2023a-serial] >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788828060000000e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)