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

Commits > Commit f4bc596bdcf3afff33b833944576bfd5457df1bc > Run foss-mpi-omp-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864118e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196483681088e-06 PASS
Benzene Energy [step 20] -3.744529933934518e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563716787703e-06 PASS
Benzene Multipoles [step 0] -1.198745029123316e-16 0.000000000000000e+00 1.000000000000000e-10 -1.198745029123316e-16 PASS
Benzene Multipoles [step 20] -9.520478523995544e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349261075913807e-09 PASS
Compare to other inputs