Match Hartree energy
Commits >
Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 >
Run eb_foss-2022a_mpi >
Input 10-helium_upf.03-gs_filter_bsb.inp
Value | Reference | Precision | Status |
1.984577640000000e+00 | 1.984576070000000e+00 | 5.000000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)