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

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744484e+01 -3.744578235744470e+01 1.000000000000000e-04 -1.421085471520200e-13 PASS
Benzene Energy [step 20] -3.744529289078127e+01 -3.744529289078146e+01 1.000000000000000e-04 1.847411112976260e-13 PASS
Benzene Multipoles [step 0] 3.013331882784653e-15 0.000000000000000e+00 1.000000000000000e-10 3.013331882784653e-15 PASS
Benzene Multipoles [step 20] -9.520492016722809e-04 -9.520492016606303e-04 1.000000000000000e-07 -1.165061970509473e-14 PASS
Compare to other inputs