Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 > Run intel_autotools: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] 3.091103423029894e-16 -2.341800490096620e-15 5.950000000000000e-15 2.650910832399609e-15 PASS
Multipoles [step 20] -1.265537116546927e-01 -1.265537116546943e-01 5.310000000000000e-15 1.609823385706477e-15 PASS
Forces [step 1] 8.537674454622568e-02 8.537674454622635e-02 9.040000000000000e-15 -6.661338147750939e-16 PASS
Forces [step 20] 7.966913104353601e-02 7.966913104353623e-02 9.530000000000000e-15 -2.220446049250313e-16 PASS
Compare to other inputs