Input 03-xc.gga_x_pbek1_vdw.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
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 | -3.203996700000000e-01 | -3.204033250000000e-01 | 4.020000000000000e-06 | 3.654999999991304e-06 | PASS |
| gga_x_pbek1_vdw Int[n*v_xc] | -4.061264600000000e-01 | -4.061309150000000e-01 | 4.900000000000000e-06 | 4.454999999958797e-06 | PASS |