Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205384e+01 -1.060684240205380e+01 5.300000000000000e-14 -3.552713678800501e-14 PASS
Energy [step 20] -1.059303740001094e+01 -1.059303740000000e+01 5.300000000000000e-07 -1.094058177386614e-11 PASS
Multipoles [step 0] -6.182695346901127e-16 2.282730401188460e-15 4.670000000000000e-15 -2.900999935878573e-15 PASS
Multipoles [step 20] -1.269358520168089e-01 -1.269358520168070e-01 6.100000000000000e-15 -1.915134717478395e-15 PASS
Forces [step 0] 8.537491810749209e-02 8.537491810749601e-02 8.799999999999999e-15 -3.913536161803677e-15 PASS
Forces [step 20] 7.713156481503791e-02 7.713156481503500e-02 4.000000000000000e-14 2.914335439641036e-15 PASS
Compare to other inputs