Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e > 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] -1.059303740001092e+01 -1.059303740000000e+01 5.300000000000000e-07 -1.092459456231154e-11 PASS
Multipoles [step 0] 2.094698743073612e-15 2.282730401188460e-15 4.670000000000000e-15 -1.880316581148478e-16 PASS
Multipoles [step 20] -1.269358520168083e-01 -1.269358520168070e-01 4.410000000000000e-15 -1.304512053934559e-15 PASS
Forces [step 0] 8.537491810749209e-02 8.537491810749601e-02 8.300000000000000e-15 -3.913536161803677e-15 PASS
Forces [step 20] 7.713156481503480e-02 7.713156481503500e-02 4.000000000000000e-14 -1.942890293094024e-16 PASS
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