Input 16-dressed-rdmft.03-rdmft.inp

Commits > Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 > Run foss-mpi-debug: [foss2023a-mpi]

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 -8.890068734700000e-01 -8.889465539750000e-01 8.700000000000000e-04 -6.031949499996081e-05 PASS
dRDMFT total mode occupation 8.305365854200000e-02 8.322159703800000e-02 2.200000000000000e-03 -1.679384959999974e-04 PASS
dRDMFT highest occupation number 1.924004284777000e+00 1.922992034259500e+00 1.400000000000000e-02 1.012250517500091e-03 PASS
Compare to other inputs