Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744463e+01 -3.744578235744470e+01 1.000000000000000e-04 7.105427357601002e-14 PASS
Benzene Energy [step 20] -3.744529289078127e+01 -3.744529289078146e+01 1.000000000000000e-04 1.847411112976260e-13 PASS
Benzene Multipoles [step 0] 5.966166988836511e-15 0.000000000000000e+00 1.000000000000000e-10 5.966166988836511e-15 PASS
Benzene Multipoles [step 20] -9.520492016701529e-04 -9.520492016606303e-04 1.000000000000000e-07 -9.522547680940185e-15 PASS
Compare to other inputs