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

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578235744480e+01 -3.744578235744470e+01 1.000000000000000e-04 -9.947598300641403e-14 PASS
Benzene Energy [step 20] -3.744529289078130e+01 -3.744529289078146e+01 1.000000000000000e-04 1.563194018672220e-13 PASS
Benzene Multipoles [step 0] 9.350211227161867e-16 0.000000000000000e+00 1.000000000000000e-10 9.350211227161867e-16 PASS
Benzene Multipoles [step 20] -9.520492016744253e-04 -9.520492016606303e-04 1.000000000000000e-07 -1.379495476183656e-14 PASS
Compare to other inputs