Input 03-xc.gga_x_dk87_r2.inp
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_dk87_r2 Eigenvalue up | -9.704180000000000e-01 | -9.703780000000000e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_x_dk87_r2 Eigenvalue dn | -8.182790000000000e-01 | -8.182410000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_x_dk87_r2 Exchange | -3.200741600000000e-01 | -3.200705250000000e-01 | 4.000000000000000e-06 | -3.635000000001831e-06 | PASS |
| gga_x_dk87_r2 Int[n*v_xc] | -4.060904500000000e-01 | -4.060859600000000e-01 | 4.940000000000000e-06 | -4.490000000023642e-06 | PASS |