Match Hartree energy
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_debug_autotools: [foss2023a-serial] >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
1.067933980000000e+00 | 1.067941250000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)