Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766758e+01 -1.060686608766762e+01 1.060000000000000e-13 3.730349362740526e-14 PASS
Energy [step 20] -1.059306110576121e+01 -1.059306110576122e+01 1.060000000000000e-13 7.105427357601002e-15 PASS
Multipoles [step 0] 1.718541202898848e-15 1.824331091466839e-16 4.490000000000000e-15 1.536108093752164e-15 PASS
Multipoles [step 20] -1.269354346362581e-01 -1.269354346362595e-01 3.850000000000000e-15 1.443289932012704e-15 PASS
Forces [step 0] 8.537673799433776e-02 8.537673799433354e-02 5.130000000000000e-15 4.218847493575595e-15 PASS
Forces [step 20] 7.713299237647764e-02 7.713299237647830e-02 3.860000000000000e-15 -6.661338147750939e-16 PASS
Compare to other inputs