Input 03-xc.gga_x_dk87_r2.inp
Commits >
Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_dk87_r2 Eigenvalue up | -9.703380000000000e-01 | -9.703780000000000e-01 | 4.400000000000000e-05 | 3.999999999992898e-05 | PASS |
| gga_x_dk87_r2 Eigenvalue dn | -8.182030000000000e-01 | -8.182410000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_x_dk87_r2 Exchange | -3.200668700000000e-01 | -3.200705250000000e-01 | 4.000000000000000e-06 | 3.654999999991304e-06 | PASS |
| gga_x_dk87_r2 Int[n*v_xc] | -4.060814500000000e-01 | -4.060859600000000e-01 | 4.940000000000000e-06 | 4.509999999957603e-06 | PASS |