Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit abc749737cc12a5b79d975879ed425be2e62065f > Run intel-2022a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205383e+01 -1.060684240205380e+01 5.300000000000000e-14 -3.197442310920451e-14 PASS
Energy [step 20] -1.059303740001093e+01 -1.059303740000000e+01 5.300000000000000e-07 -1.092814727599034e-11 PASS
Multipoles [step 0] 2.062177211219381e-15 2.282730401188460e-15 4.670000000000000e-15 -2.205531899690792e-16 PASS
Multipoles [step 20] -1.269358520168059e-01 -1.269358520168070e-01 4.410000000000000e-15 1.137978600240785e-15 PASS
Forces [step 0] 8.537491810749254e-02 8.537491810749601e-02 8.300000000000000e-15 -3.469446951953614e-15 PASS
Forces [step 20] 7.713156481503525e-02 7.713156481503500e-02 4.000000000000000e-14 2.498001805406602e-16 PASS
Compare to other inputs