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

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run eb_foss-2022a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744478e+01 -3.744578235744470e+01 1.000000000000000e-04 -8.526512829121202e-14 PASS
Benzene Energy [step 20] -3.744529289078126e+01 -3.744529289078146e+01 1.000000000000000e-04 1.989519660128281e-13 PASS
Benzene Multipoles [step 0] 1.135836270543870e-14 0.000000000000000e+00 1.000000000000000e-10 1.135836270543870e-14 PASS
Benzene Multipoles [step 20] -9.520492016651753e-04 -9.520492016606303e-04 1.000000000000000e-07 -4.544975507059235e-15 PASS
Compare to other inputs