Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2023a_serial_min

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] -1.060634829657866e+01 -1.060634829657860e+01 5.300000000000000e-13 -5.684341886080801e-14 PASS
Multipoles [step 0] 2.734844150459065e-15 2.282730401188460e-15 4.670000000000000e-15 4.521137492706057e-16 PASS
Multipoles [step 20] -1.265868442788818e-01 -1.265868442788090e-01 9.620000000000000e-14 -7.283063041541027e-14 PASS
Forces [step 0] 8.537491810749254e-02 8.537491810749601e-02 8.799999999999999e-15 -3.469446951953614e-15 PASS
Forces [step 20] 7.967282081341054e-02 7.967282081340320e-02 3.150000000000000e-14 7.341349750333848e-15 PASS
Compare to other inputs