Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_foss-2022a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205381e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.421085471520200e-14 PASS
Energy [step 20] -1.059303740001093e+01 -1.059303740000000e+01 5.300000000000000e-07 -1.092992363282974e-11 PASS
Multipoles [step 0] -1.233658926966599e-15 2.282730401188460e-15 4.670000000000000e-15 -3.516389328155059e-15 PASS
Multipoles [step 20] -1.269358520168091e-01 -1.269358520168070e-01 6.100000000000000e-15 -2.137179322403426e-15 PASS
Forces [step 0] 8.537491810749165e-02 8.537491810749601e-02 8.799999999999999e-15 -4.357625371653739e-15 PASS
Forces [step 20] 7.713156481503658e-02 7.713156481503500e-02 4.000000000000000e-14 1.582067810090848e-15 PASS
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