Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit 26e63ce6623e1d4b39697bebbd513dd45521ca85 > Run eb_fosscuda-2022a

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205380e+01 -1.060684240205380e+01 5.300000000000000e-14 0.000000000000000e+00 PASS
Energy [step 20] -1.060634829657863e+01 -1.060634829657860e+01 5.300000000000000e-13 -3.197442310920451e-14 PASS
Multipoles [step 0] -1.237447827312412e-15 2.282730401188460e-15 4.670000000000000e-15 -3.520178228500872e-15 PASS
Multipoles [step 20] -1.265868442788813e-01 -1.265868442788090e-01 9.620000000000000e-14 -7.227551890309769e-14 PASS
Forces [step 0] 8.537491810749387e-02 8.537491810749601e-02 8.300000000000000e-15 -2.137179322403426e-15 PASS
Forces [step 20] 7.967282081341764e-02 7.967282081340320e-02 3.150000000000000e-14 1.444677710793485e-14 PASS
Compare to other inputs