Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_ppc_autotools: [foss2022a-serial]

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] -1.060637200596969e+01 -1.060637200596971e+01 1.060000000000000e-13 2.131628207280301e-14 PASS
Multipoles [step 0] 1.718541202898848e-15 1.824331091466839e-16 4.490000000000000e-15 1.536108093752164e-15 PASS
Multipoles [step 20] -1.265864295118552e-01 -1.265864295118192e-01 4.360000000000000e-14 -3.597122599785507e-14 PASS
Forces [step 0] 8.537673799433776e-02 8.537673799433354e-02 5.130000000000000e-15 4.218847493575595e-15 PASS
Forces [step 20] 7.967423673800189e-02 7.967423673803031e-02 4.640000000000000e-14 -2.842170943040401e-14 PASS
Compare to other inputs