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

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_autotools: [foss2023b-serial]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864105e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196355783395e-06 PASS
Benzene Energy [step 20] -3.744529933934514e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563681260566e-06 PASS
Benzene Multipoles [step 0] 6.887881240594797e-15 0.000000000000000e+00 1.000000000000000e-10 6.887881240594797e-15 PASS
Benzene Multipoles [step 20] -9.520478523912149e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349269415380078e-09 PASS
Compare to other inputs