Input 16-dressed-rdmft.03-rdmft.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-full]
Matches
Name | Value | Reference | Precision | Difference | Status |
SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-03 | 0.000000000000000e+00 | PASS |
dRDMFT converged energy | -8.889751511300000e-01 | -8.889465539750000e-01 | 8.700000000000000e-04 | -2.859715500003190e-05 | PASS |
dRDMFT total mode occupation | 8.326802069500000e-02 | 8.322159703800000e-02 | 2.200000000000000e-03 | 4.642365699999984e-05 | PASS |
dRDMFT highest occupation number | 1.922583659659000e+00 | 1.922992034259500e+00 | 1.400000000000000e-02 | -4.083746004999167e-04 | PASS |