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

Commits > Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d > Run foss-cmake-zen4: [foss2023a-serial, foss-full]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864098e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196284729122e-06 PASS
Benzene Energy [step 20] -3.744529933934511e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563652838857e-06 PASS
Benzene Multipoles [step 0] -4.170285847873211e-15 0.000000000000000e+00 1.000000000000000e-10 -4.170285847873211e-15 PASS
Benzene Multipoles [step 20] -9.520478524037496e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349256880701921e-09 PASS
Compare to other inputs