Input 03-xc.gga_x_optb88_vdw.inp
Commits >
Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_optb88_vdw Eigenvalue up | -9.635460000000000e-01 | -9.635860000000001e-01 | 4.400000000000000e-05 | 4.000000000004000e-05 | PASS |
| gga_x_optb88_vdw Eigenvalue dn | -8.122810000000000e-01 | -8.123184999999999e-01 | 4.120000000000000e-05 | 3.749999999991260e-05 | PASS |
| gga_x_optb88_vdw Exchange | -3.141762600000000e-01 | -3.141797550000000e-01 | 3.840000000000000e-06 | 3.495000000020010e-06 | PASS |
| gga_x_optb88_vdw Int[n*v_xc] | -3.994635900000000e-01 | -3.994679000000000e-01 | 4.740000000000000e-06 | 4.310000000007363e-06 | PASS |