Input 01-propagators.03-etrs_taylor.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 8.300000000000000e-14 -1.953992523340276e-14 PASS
Energy [step 20] -1.060634834378748e+01 -1.060634834378750e+01 5.300000000000000e-13 2.486899575160351e-14 PASS
Multipoles [step 0] 2.094698743073612e-15 2.282730401188460e-15 4.670000000000000e-15 -1.880316581148478e-16 PASS
Multipoles [step 20] -1.265540767271380e-01 -1.265540767271380e-01 6.330000000000000e-15 2.775557561562891e-17 PASS
Forces [step 0] 8.537491810749209e-02 8.537491810749601e-02 8.799999999999999e-15 -3.913536161803677e-15 PASS
Forces [step 20] 7.966818746569615e-02 7.966818746569601e-02 3.980000000000000e-15 1.387778780781446e-16 PASS
Compare to other inputs