Input 02-propagators.04-rungekutta4.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run eb_foss-2022b_libxc6_mpi

Matches

Name Value Reference Precision Difference Status
Forces [step 1] 8.537491810749209e-02 8.537491810749601e-02 8.300000000000000e-15 -3.913536161803677e-15 PASS
Forces [step 20] 7.965856691524209e-02 7.965856691524141e-02 4.620000000000000e-15 6.800116025829084e-16 PASS
Energy [step 1] -1.060684240205382e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.953992523340276e-14 PASS
Energy [step 20] -1.060634810022092e+01 -1.060634810022090e+01 5.300000000000000e-14 -1.598721155460225e-14 PASS
Multipoles [step 1] 2.094698743073612e-15 2.282730401188460e-15 4.670000000000000e-15 -1.880316581148478e-16 PASS
Multipoles [step 20] -1.265428257601712e-01 -1.265428257601720e-01 6.330000000000000e-15 8.049116928532385e-16 PASS
Compare to other inputs