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

Commits > Commit 705c4760eef009c58a165e8716adc8057257a566 > Run intel-serial: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864124e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196540524506e-06 PASS
Benzene Energy [step 20] -3.744529933934523e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563766525695e-06 PASS
Benzene Multipoles [step 0] -7.934509405327845e-15 0.000000000000000e+00 1.000000000000000e-10 -7.934509405327845e-15 PASS
Benzene Multipoles [step 20] -9.520478524067755e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349253854802078e-09 PASS
Compare to other inputs