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

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run eb_foss-2022b_libxc6

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744471e+01 -3.744578235744470e+01 1.000000000000000e-04 -7.105427357601002e-15 PASS
Benzene Energy [step 20] -3.744529289078130e+01 -3.744529289078146e+01 1.000000000000000e-04 1.563194018672220e-13 PASS
Benzene Multipoles [step 0] 4.026706130314403e-15 0.000000000000000e+00 1.000000000000000e-10 4.026706130314403e-15 PASS
Benzene Multipoles [step 20] -9.520492016730954e-04 -9.520492016606303e-04 1.000000000000000e-07 -1.246507237706584e-14 PASS
Compare to other inputs