Input 03-xc.gga_x_dk87_r2.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
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 | -3.200668900000000e-01 | -3.200705250000000e-01 | 4.000000000000000e-06 | 3.635000000001831e-06 | PASS |
| gga_x_dk87_r2 Int[n*v_xc] | -4.060814700000000e-01 | -4.060859600000000e-01 | 4.940000000000000e-06 | 4.489999999968131e-06 | PASS |