Match Hartree energy
Commits >
Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 >
Run intel-2022b >
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)