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

Commits > Commit babc485c55a2119a415aa56305cb49f398154cb7 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744483e+01 -3.744578235744470e+01 1.000000000000000e-04 -1.278976924368180e-13 PASS
Benzene Energy [step 20] -3.744529289078136e+01 -3.744529289078146e+01 1.000000000000000e-04 9.947598300641403e-14 PASS
Benzene Multipoles [step 0] 5.397419391059593e-15 0.000000000000000e+00 1.000000000000000e-10 5.397419391059593e-15 PASS
Benzene Multipoles [step 20] -9.520492016707151e-04 -9.520492016606303e-04 1.000000000000000e-07 -1.008481492759117e-14 PASS
Compare to other inputs