Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit a13b23db727d16a495bf01d61e312a3a910271ff >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619910e+01 | -1.351221987619888e+01 | 2.640000000000000e-13 | -2.184918912462308e-13 | PASS |
| Energy [step 103] | -1.351222686779620e+01 | -1.351222686779602e+01 | 2.760000000000000e-13 | -1.758593271006248e-13 | PASS |
| Multipoles [step 83] | 5.517961619201705e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | 6.199869177075934e-14 | PASS |
| Multipoles [step 103] | 3.943654428804534e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | -9.228989100718010e-14 | PASS |