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

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run spack_foss-2022a_mpi_omp

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 -8.888929673600000e-01 -8.889465539750000e-01 8.700000000000000e-04 5.358661499998973e-05 PASS
dRDMFT total mode occupation 8.255076402500000e-02 8.322159703800000e-02 2.200000000000000e-03 -6.708330129999995e-04 PASS
dRDMFT highest occupation number 1.927724040045000e+00 1.922992034259500e+00 1.400000000000000e-02 4.732005785500037e-03 PASS
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