Input 03-xc.gga_xc_b97_d.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_b97_d Eigenvalue up | -9.868370000000000e-01 | -9.868770000000000e-01 | 4.400000000000000e-05 | 4.000000000004000e-05 | PASS |
| gga_xc_b97_d Eigenvalue dn | -8.794080000000000e-01 | -8.794480000000000e-01 | 4.400000000000000e-05 | 4.000000000004000e-05 | PASS |
| gga_xc_b97_d Correlation | -3.405914200000000e-01 | -3.405951950000000e-01 | 4.150000000000000e-06 | 3.775000000039164e-06 | PASS |
| gga_xc_b97_d Int[n*v_xc] | -4.315217200000000e-01 | -4.315265750000000e-01 | 5.350000000000000e-06 | 4.855000000025811e-06 | PASS |