Input 12-tddft-currents-to-maxwell.01-benzene-gs.inp

Commits > Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 > Run foss-opt-full: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 4.000000000000000e-08 0.000000000000000e+00 PASS
Initial energy -3.744576714000000e+01 -3.744576068000000e+01 1.000000000000000e-04 -6.460000001595745e-06 PASS
Compare to other inputs