Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e > Run GCI_foss_mpi_omp_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] -3.403086406422728e-15 -2.341800490096620e-15 5.950000000000000e-15 -1.061285916326109e-15 PASS
Multipoles [step 20] -1.265537116546950e-01 -1.265537116546943e-01 4.140000000000000e-15 -6.661338147750939e-16 PASS
Forces [step 1] 8.537674454622701e-02 8.537674454622635e-02 3.660000000000000e-15 6.661338147750939e-16 PASS
Forces [step 20] 7.966913104353512e-02 7.966913104353623e-02 2.200000000000000e-15 -1.110223024625157e-15 PASS
Compare to other inputs