Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > 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] -1.060634829657865e+01 -1.060634829657860e+01 5.300000000000000e-13 -4.796163466380676e-14 PASS
Multipoles [step 0] -6.215055325855396e-16 2.282730401188460e-15 4.670000000000000e-15 -2.904235933773999e-15 PASS
Multipoles [step 20] -1.265868442788370e-01 -1.265868442788090e-01 9.620000000000000e-14 -2.800537579616957e-14 PASS
Forces [step 0] 8.537491810749342e-02 8.537491810749601e-02 8.799999999999999e-15 -2.581268532253489e-15 PASS
Forces [step 20] 7.967282081339677e-02 7.967282081340320e-02 3.150000000000000e-14 -6.425415755018093e-15 PASS
Compare to other inputs