Match Hartree energy
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run foss-serial-min: [foss2022a-serial] >
Input 08-benzene_supercell.01-gs.inp
Value | Reference | Precision | Status |
3.146027821000000e+01 | 3.146027821000000e+01 | 1.570000000000000e-09 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)