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

Commits > Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 > Run foss-mpi-min: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864101e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196306045404e-06 PASS
Benzene Energy [step 20] -3.744529933934517e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563709682276e-06 PASS
Benzene Multipoles [step 0] 9.559551550530026e-15 0.000000000000000e+00 1.000000000000000e-10 9.559551550530026e-15 PASS
Benzene Multipoles [step 20] -9.520478523894894e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349271140887835e-09 PASS
Compare to other inputs