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

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864120e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196504997370e-06 PASS
Benzene Energy [step 20] -3.744529933934513e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563674155139e-06 PASS
Benzene Multipoles [step 0] 1.402531684074280e-14 0.000000000000000e+00 1.000000000000000e-10 1.402531684074280e-14 PASS
Benzene Multipoles [step 20] -9.520478523867997e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349273830576585e-09 PASS
Compare to other inputs