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

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_mpi_debug_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864097e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196270518267e-06 PASS
Benzene Energy [step 20] -3.744529933934518e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563723893130e-06 PASS
Benzene Multipoles [step 0] 1.111003115582031e-14 0.000000000000000e+00 1.000000000000000e-10 1.111003115582031e-14 PASS
Benzene Multipoles [step 20] -9.520478523879123e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349272717968315e-09 PASS
Compare to other inputs