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

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Run cuda-mpi-omp: [foss2022a-cuda-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 -8.889740671800000e-01 -8.889465539750000e-01 8.700000000000000e-04 -2.751320500005150e-05 PASS
dRDMFT total mode occupation 8.326890432500000e-02 8.322159703800000e-02 2.200000000000000e-03 4.730728700000353e-05 PASS
dRDMFT highest occupation number 1.922509045515000e+00 1.922992034259500e+00 1.400000000000000e-02 -4.829887444999237e-04 PASS
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