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

Commits > Commit e20977157e4d251b72bb22e6c23e92a645445263 > Run foss-2022a_omp

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] -3.744529289078132e+01 -3.744529289078146e+01 1.000000000000000e-04 1.350031197944190e-13 PASS
Benzene Multipoles [step 0] 4.747030315328332e-15 0.000000000000000e+00 1.000000000000000e-10 4.747030315328332e-15 PASS
Benzene Multipoles [step 20] 9.520492016820493e-04 9.520492016833351e-04 1.000000000000000e-07 -1.285863776567808e-15 PASS
Compare to other inputs