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

Commits > Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e > Run foss_cmake: [foss2022a-serial, foss-min]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864103e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196327361686e-06 PASS
Benzene Energy [step 20] -3.744529933934517e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563709682276e-06 PASS
Benzene Multipoles [step 0] 9.686566873569099e-15 0.000000000000000e+00 1.000000000000000e-10 9.686566873569099e-15 PASS
Benzene Multipoles [step 20] -9.520478523888813e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349271749016834e-09 PASS
Compare to other inputs