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

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > Run foss-mpi-opt-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864103e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196327361686e-06 PASS
Benzene Energy [step 20] -3.744529933934511e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563645733429e-06 PASS
Benzene Multipoles [step 0] 1.366155950474227e-15 0.000000000000000e+00 1.000000000000000e-10 1.366155950474227e-15 PASS
Benzene Multipoles [step 20] -9.520478523975778e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349263052522788e-09 PASS
Compare to other inputs