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

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744453e+01 -3.744578235744470e+01 1.000000000000000e-04 1.705302565824240e-13 PASS
Benzene Energy [step 20] -3.744529289078142e+01 -3.744529289078146e+01 1.000000000000000e-04 4.263256414560601e-14 PASS
Benzene Multipoles [step 0] -3.557323540162215e-15 0.000000000000000e+00 1.000000000000000e-10 -3.557323540162215e-15 PASS
Benzene Multipoles [step 20] -9.520492016801705e-04 -9.520492016606303e-04 1.000000000000000e-07 -1.954014207383725e-14 PASS
Compare to other inputs