Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit b7dcc99023940be2b83de00317ffa33e598f3f55 > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766765e+01 -1.060686608766762e+01 1.060000000000000e-13 -3.375077994860476e-14 PASS
Energy [step 20] -1.060637200596972e+01 -1.060637200596971e+01 1.060000000000000e-13 -8.881784197001252e-15 PASS
Multipoles [step 0] -1.170343729155372e-15 1.824331091466839e-16 4.490000000000000e-15 -1.352776838302056e-15 PASS
Multipoles [step 20] -1.265864295118034e-01 -1.265864295118192e-01 4.360000000000000e-14 1.582067810090848e-14 PASS
Forces [step 0] 8.537673799433465e-02 8.537673799433354e-02 1.250000000000000e-14 1.110223024625157e-15 PASS
Forces [step 20] 7.967423673801033e-02 7.967423673803031e-02 4.640000000000000e-14 -1.998401444325282e-14 PASS
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