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

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run spack_foss-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744480e+01 -3.744578235744470e+01 1.000000000000000e-04 -9.947598300641403e-14 PASS
Benzene Energy [step 20] -3.744529289078133e+01 -3.744529289078146e+01 1.000000000000000e-04 1.278976924368180e-13 PASS
Benzene Multipoles [step 0] 6.425273356100975e-15 0.000000000000000e+00 1.000000000000000e-10 6.425273356100975e-15 PASS
Benzene Multipoles [step 20] -9.520492016696542e-04 -9.520492016606303e-04 1.000000000000000e-07 -9.023923101814102e-15 PASS
Compare to other inputs