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

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run foss-ppc: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864112e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196419732241e-06 PASS
Benzene Energy [step 20] -3.744529933934521e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563752314840e-06 PASS
Benzene Multipoles [step 0] 2.481114962464113e-15 0.000000000000000e+00 1.000000000000000e-10 2.481114962464113e-15 PASS
Benzene Multipoles [step 20] -9.520478523972648e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349263365531955e-09 PASS
Compare to other inputs