Match Hartree energy
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_min_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)