Match Hartree energy
Commits >
Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee >
Run cmake_foss_2022a_full_serial >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788829044000001e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)