Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
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 |