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

Commits > Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 > Run eb_fosscuda-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744471e+01 -3.744578235744470e+01 1.000000000000000e-04 -1.421085471520200e-14 PASS
Benzene Energy [step 20] -3.744529289078128e+01 -3.744529289078146e+01 1.000000000000000e-04 1.776356839400250e-13 PASS
Benzene Multipoles [step 0] 4.866904818240664e-15 0.000000000000000e+00 1.000000000000000e-10 4.866904818240664e-15 PASS
Benzene Multipoles [step 20] 9.520492016802032e-04 9.520492016833351e-04 1.000000000000000e-07 -3.131934815658877e-15 PASS
Compare to other inputs