Input 03-xc.gga_x_pbek1_vdw.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pbek1_vdw Eigenvalue up | -9.700690000000000e-01 | -9.701085000000000e-01 | 4.350000000000000e-05 | 3.950000000008114e-05 | PASS |
| gga_x_pbek1_vdw Eigenvalue dn | -8.195070000000000e-01 | -8.195450000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_x_pbek1_vdw Exchange | -3.203996500000000e-01 | -3.204033250000000e-01 | 4.020000000000000e-06 | 3.675000000036288e-06 | PASS |
| gga_x_pbek1_vdw Int[n*v_xc] | -4.061264400000000e-01 | -4.061309150000000e-01 | 4.900000000000000e-06 | 4.475000000003782e-06 | PASS |