Input 01-propagators.06-aetrs.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run eb_foss-2022b_libxc6_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.953992523340276e-14 PASS
Energy [step 20] -1.060634982716840e+01 -1.060634982716840e+01 5.300000000000000e-13 -3.552713678800501e-15 PASS
Multipoles [step 0] 2.094698743073612e-15 2.282730401188460e-15 4.670000000000000e-15 -1.880316581148478e-16 PASS
Multipoles [step 20] -1.265513823243657e-01 -1.265513823243620e-01 6.330000000000000e-15 -3.747002708109903e-15 PASS
Forces [step 0] 8.537491810749209e-02 8.537491810749601e-02 8.799999999999999e-15 -3.913536161803677e-15 PASS
Forces [step 20] 7.966699321588244e-02 7.966699321588180e-02 4.000000000000000e-14 6.383782391594650e-16 PASS
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