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

Commits > Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 > Run valgrind: [foss2023a-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 -1.283000300000000e+00 -1.283000280000000e+00 1.000000000000000e-04 -2.000000010049519e-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
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