Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run foss-min-parallel: [foss2023b-mpi]

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] 7.423046552434975e-16 -2.341800490096620e-15 5.950000000000000e-15 3.084105145340117e-15 PASS
Multipoles [step 20] -1.265537116546934e-01 -1.265537116546943e-01 4.140000000000000e-15 8.881784197001252e-16 PASS
Forces [step 1] 8.537674454622568e-02 8.537674454622635e-02 9.040000000000000e-15 -6.661338147750939e-16 PASS
Forces [step 20] 7.966913104353512e-02 7.966913104353623e-02 9.530000000000000e-15 -1.110223024625157e-15 PASS
Compare to other inputs