Match Hartree energy
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run cmake_foss_2022a_min_mpi >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
4.641777013000000e+01 | 4.641776690000000e+01 | 7.890000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)