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

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run cmake_foss_2022a_full_serial

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744460e+01 -3.744578235744470e+01 1.000000000000000e-04 9.947598300641403e-14 PASS
Benzene Energy [step 20] -3.744529289078129e+01 -3.744529289078146e+01 1.000000000000000e-04 1.705302565824240e-13 PASS
Benzene Multipoles [step 0] 7.659138334358420e-15 0.000000000000000e+00 1.000000000000000e-10 7.659138334358420e-15 PASS
Benzene Multipoles [step 20] -9.520492016675306e-04 -9.520492016606303e-04 1.000000000000000e-07 -6.900296306566744e-15 PASS
Compare to other inputs