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

Commits > Commit a4341ac9f169107ec4cef5019cc6269df7c401ac > Run spack_foss-2023a_serial_opt

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 -8.889785249200000e-01 -8.889465539750000e-01 8.700000000000000e-04 -3.197094499995945e-05 PASS
dRDMFT total mode occupation 8.321649994499999e-02 8.322159703800000e-02 2.200000000000000e-03 -5.097093000006048e-06 PASS
dRDMFT highest occupation number 1.922949077301000e+00 1.922992034259500e+00 1.400000000000000e-02 -4.295695849987347e-05 PASS
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