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

Commits > Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c > Run foss-omp-full: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864117e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196469470233e-06 PASS
Benzene Energy [step 20] -3.744529933934512e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563659944284e-06 PASS
Benzene Multipoles [step 0] 1.208334989356303e-14 0.000000000000000e+00 1.000000000000000e-10 1.208334989356303e-14 PASS
Benzene Multipoles [step 20] -9.520478523884061e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349272224222646e-09 PASS
Compare to other inputs