Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_debug_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-03 | 0.000000000000000e+00 | PASS |
| RDMFT converged energy | -1.176087137100000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172040999999236e-04 | PASS |
| RDMFT highest occupation number | 1.946763488070000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.322888399999059e-05 | PASS |