Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205380e+01 -1.060684240205380e+01 5.300000000000000e-14 -3.552713678800501e-15 PASS
Energy [step 20] -1.059303740001095e+01 -1.059303740000000e+01 5.300000000000000e-07 -1.094768720122374e-11 PASS
Multipoles [step 0] -6.215055325855396e-16 2.282730401188460e-15 4.670000000000000e-15 -2.904235933773999e-15 PASS
Multipoles [step 20] -1.269358520168095e-01 -1.269358520168070e-01 6.100000000000000e-15 -2.525757381022231e-15 PASS
Forces [step 0] 8.537491810749342e-02 8.537491810749601e-02 8.799999999999999e-15 -2.581268532253489e-15 PASS
Forces [step 20] 7.713156481503747e-02 7.713156481503500e-02 4.000000000000000e-14 2.470246229790973e-15 PASS
Compare to other inputs