Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205383e+01 -1.060684240205380e+01 5.300000000000000e-14 -2.664535259100376e-14 PASS
Energy [step 20] -1.059303740001089e+01 -1.059303740000000e+01 5.300000000000000e-07 -1.089262013920234e-11 PASS
Multipoles [step 0] 4.397763403440891e-15 2.282730401188460e-15 4.670000000000000e-15 2.115033002252431e-15 PASS
Multipoles [step 20] -1.269358520168042e-01 -1.269358520168070e-01 6.100000000000000e-15 2.803313137178520e-15 PASS
Forces [step 0] 8.537491810749076e-02 8.537491810749601e-02 8.799999999999999e-15 -5.245803791353865e-15 PASS
Forces [step 20] 7.713156481502326e-02 7.713156481503500e-02 4.000000000000000e-14 -1.174060848541103e-14 PASS
Compare to other inputs