Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a > Run intel_omp_autotools: [intel2022a-serial]

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] 1.712848612944740e-16 -2.341800490096620e-15 5.950000000000000e-15 2.513085351391094e-15 PASS
Multipoles [step 20] -1.265537116546915e-01 -1.265537116546943e-01 4.140000000000000e-15 2.803313137178520e-15 PASS
Forces [step 1] 8.537674454622479e-02 8.537674454622635e-02 9.040000000000000e-15 -1.554312234475219e-15 PASS
Forces [step 20] 7.966913104353690e-02 7.966913104353623e-02 9.530000000000000e-15 6.661338147750939e-16 PASS
Compare to other inputs