Input 03-xc.gga_x_pbe.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pbe Eigenvalue up | -9.680020000000000e-01 | -9.680415000000000e-01 | 4.340000000000000e-05 | 3.949999999997011e-05 | PASS |
| gga_x_pbe Eigenvalue dn | -8.160690000000000e-01 | -8.161070000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_x_pbe Exchange | -3.167936000000000e-01 | -3.167971900000000e-01 | 3.950000000000000e-06 | 3.589999999997762e-06 | PASS |
| gga_x_pbe Int[n*v_xc] | -4.037854400000000e-01 | -4.037898600000000e-01 | 4.860000000000000e-06 | 4.420000000004976e-06 | PASS |