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

Commits > Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e > Run intel_omp_autotools: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Benzene Energy [step 0] -3.744578880864126e+01 -3.744578235744470e+01 1.000000000000000e-04 -6.451196561840788e-06 PASS
Benzene Energy [step 20] -3.744529933934533e+01 -3.744529289078146e+01 1.000000000000000e-04 -6.448563866001678e-06 PASS
Benzene Multipoles [step 0] -2.373515157664166e-15 0.000000000000000e+00 1.000000000000000e-10 -2.373515157664166e-15 PASS
Benzene Multipoles [step 20] -9.520478524025512e-04 -9.520492016606303e-04 1.000000000000000e-07 1.349258079070582e-09 PASS
Compare to other inputs