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

Commits > Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 > 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] -9.520492016659861e-04 -9.520492016606303e-04 1.000000000000000e-07 -5.355741891643895e-15 PASS
Compare to other inputs