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

Commits > Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744475e+01 -3.744578235744470e+01 1.000000000000000e-04 -4.973799150320701e-14 PASS
Benzene Energy [step 20] -3.744529289078129e+01 -3.744529289078146e+01 1.000000000000000e-04 1.705302565824240e-13 PASS
Benzene Multipoles [step 0] 1.713212767803238e-14 0.000000000000000e+00 1.000000000000000e-10 1.713212767803238e-14 PASS
Benzene Multipoles [step 20] -9.520492016590135e-04 -9.520492016606303e-04 1.000000000000000e-07 1.616762279610384e-15 PASS
Compare to other inputs