Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766762e+01 -1.060686608766762e+01 1.060000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 20] -1.059306110576122e+01 -1.059306110576122e+01 1.060000000000000e-13 1.776356839400250e-15 PASS
Multipoles [step 0] 1.716021855863170e-15 1.824331091466839e-16 4.490000000000000e-15 1.533588746716486e-15 PASS
Multipoles [step 20] -1.269354346362586e-01 -1.269354346362595e-01 3.850000000000000e-15 8.881784197001252e-16 PASS
Forces [step 0] 8.537673799433509e-02 8.537673799433354e-02 5.130000000000000e-15 1.554312234475219e-15 PASS
Forces [step 20] 7.713299237647719e-02 7.713299237647830e-02 3.860000000000000e-15 -1.110223024625157e-15 PASS
Compare to other inputs