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

Commits > Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744473e+01 -3.744578235744470e+01 1.000000000000000e-04 -2.842170943040401e-14 PASS
Benzene Energy [step 20] -3.744529289078122e+01 -3.744529289078146e+01 1.000000000000000e-04 2.415845301584341e-13 PASS
Benzene Multipoles [step 0] 8.654939110270343e-15 0.000000000000000e+00 1.000000000000000e-10 8.654939110270343e-15 PASS
Benzene Multipoles [step 20] 9.520492016838714e-04 9.520492016833351e-04 1.000000000000000e-07 5.362463945113305e-16 PASS
Compare to other inputs