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

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run eb_fosscuda-2022a

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744464e+01 -3.744578235744470e+01 1.000000000000000e-04 5.684341886080801e-14 PASS
Benzene Energy [step 20] -3.744529289078129e+01 -3.744529289078146e+01 1.000000000000000e-04 1.705302565824240e-13 PASS
Benzene Multipoles [step 0] 1.546769546122761e-15 0.000000000000000e+00 1.000000000000000e-10 1.546769546122761e-15 PASS
Benzene Multipoles [step 20] -9.520492016744698e-04 -9.520492016606303e-04 1.000000000000000e-07 -1.383951547112572e-14 PASS
Compare to other inputs