Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_opt_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] -1.841942370113189e-15 -2.341800490096620e-15 5.950000000000000e-15 4.998581199834305e-16 PASS
Multipoles [step 20] -1.265537116546935e-01 -1.265537116546943e-01 4.140000000000000e-15 7.771561172376096e-16 PASS
Forces [step 1] 8.537674454622746e-02 8.537674454622635e-02 9.040000000000000e-15 1.110223024625157e-15 PASS
Forces [step 20] 7.966913104353424e-02 7.966913104353623e-02 9.530000000000000e-15 -1.998401444325282e-15 PASS
Compare to other inputs