Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2022a_cuda_serial

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] -1.060634829657864e+01 -1.060634829657860e+01 5.300000000000000e-13 -3.552713678800501e-14 PASS
Multipoles [step 0] 1.405064907196267e-15 2.282730401188460e-15 4.670000000000000e-15 -8.776654939921929e-16 PASS
Multipoles [step 20] -1.265868442789008e-01 -1.265868442788090e-01 9.620000000000000e-14 -9.175993298526919e-14 PASS
Forces [step 0] 8.537491810749476e-02 8.537491810749601e-02 8.799999999999999e-15 -1.249000902703301e-15 PASS
Forces [step 20] 7.967282081342875e-02 7.967282081340320e-02 3.150000000000000e-14 2.554900735418641e-14 PASS
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