Input 07-casida-photons.01-gs.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_foss-2023b_serial

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -1.283000220000000e+00 -1.283000280000000e+00 1.000000000000000e-04 6.000000007944095e-08 PASS
HOMO -2.436470000000000e-01 -2.436470000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
LUMO 1.899930000000000e-01 1.899930000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
State 27 3.555030000000000e-01 3.555030000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Compare to other inputs