Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.776356839400250e-14 PASS
Energy [step 20] -1.060634829657867e+01 -1.060634829657860e+01 5.300000000000000e-13 -6.750155989720952e-14 PASS
Multipoles [step 0] -9.399314212696872e-16 2.282730401188460e-15 4.670000000000000e-15 -3.222661822458147e-15 PASS
Multipoles [step 20] -1.265868442788249e-01 -1.265868442788090e-01 9.620000000000000e-14 -1.587618925213974e-14 PASS
Forces [step 0] 8.537491810748810e-02 8.537491810749601e-02 8.799999999999999e-15 -7.910339050454240e-15 PASS
Forces [step 20] 7.967282081340432e-02 7.967282081340320e-02 3.150000000000000e-14 1.124100812432971e-15 PASS
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