Input 03-xc.gga_x_mpw91.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_mpw91 Eigenvalue up | -9.706930000000000e-01 | -9.707330000000001e-01 | 4.400000000000000e-05 | 4.000000000004000e-05 | PASS |
| gga_x_mpw91 Eigenvalue dn | -8.188870000000000e-01 | -8.189245000000001e-01 | 4.120000000000000e-05 | 3.750000000002363e-05 | PASS |
| gga_x_mpw91 Exchange | -3.203658100000000e-01 | -3.203694350000000e-01 | 3.990000000000000e-06 | 3.625000000007095e-06 | PASS |
| gga_x_mpw91 Int[n*v_xc] | -4.065019300000000e-01 | -4.065063800000000e-01 | 4.890000000000000e-06 | 4.449999999989185e-06 | PASS |