Input 01-propagators.03-etrs_taylor.inp

Commits > Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 > Run eb_foss-2022b_libxc6

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205381e+01 -1.060684240205380e+01 5.300000000000000e-14 -8.881784197001252e-15 PASS
Energy [step 20] -1.060634834378748e+01 -1.060634834378750e+01 5.300000000000000e-13 1.598721155460225e-14 PASS
Multipoles [step 0] -9.703059278905364e-16 2.282730401188460e-15 4.670000000000000e-15 -3.253036329078996e-15 PASS
Multipoles [step 20] -1.265540767271377e-01 -1.265540767271380e-01 6.330000000000000e-15 3.053113317719180e-16 PASS
Forces [step 0] 8.537491810749520e-02 8.537491810749601e-02 8.300000000000000e-15 -8.049116928532385e-16 PASS
Forces [step 20] 7.966818746569482e-02 7.966818746569601e-02 3.980000000000000e-15 -1.193489751472043e-15 PASS
Compare to other inputs