Input 01-propagators.06-aetrs.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > 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] -1.060634982716841e+01 -1.060634982716840e+01 5.300000000000000e-13 -1.421085471520200e-14 PASS
Multipoles [step 0] -9.703059278905364e-16 2.282730401188460e-15 4.670000000000000e-15 -3.253036329078996e-15 PASS
Multipoles [step 20] -1.265513823243637e-01 -1.265513823243620e-01 6.330000000000000e-15 -1.693090112553364e-15 PASS
Forces [step 0] 8.537491810749520e-02 8.537491810749601e-02 8.300000000000000e-15 -8.049116928532385e-16 PASS
Forces [step 20] 7.966699321588067e-02 7.966699321588180e-02 4.000000000000000e-14 -1.137978600240785e-15 PASS
Compare to other inputs