Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run eb_foss-2022b_libxc6_mpi

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] -3.387679053295025e-15 -2.341800490096620e-15 5.950000000000000e-15 -1.045878563198406e-15 PASS
Multipoles [step 20] -1.265541277298160e-01 -1.265541277298150e-01 6.330000000000000e-15 -9.992007221626409e-16 PASS
Forces [step 1] 8.537492460197482e-02 8.537492460197621e-02 6.750000000000000e-15 -1.387778780781446e-15 PASS
Forces [step 20] 7.966771527219052e-02 7.966771527219201e-02 6.850000000000000e-15 -1.484923295436147e-15 PASS
Compare to other inputs