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

Commits > Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 > Run foss-ppc: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864113e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196433943096e-06 PASS
Benzene Energy [step 20] -3.744529933934518e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563723893130e-06 PASS
Benzene Multipoles [step 0] 2.608085468721185e-15 0.000000000000000e+00 1.000000000000000e-10 2.608085468721185e-15 PASS
Benzene Multipoles [step 20] -9.520478523969396e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349263690684187e-09 PASS
Compare to other inputs