Input 03-xc.gga_x_dk87_r1.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run intel-parallel-debug: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_dk87_r1 Eigenvalue up | -9.704600000000000e-01 | -9.704200000000001e-01 | 4.400000000000000e-05 | -3.999999999992898e-05 | PASS |
| gga_x_dk87_r1 Eigenvalue dn | -8.184030000000000e-01 | -8.183650000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_x_dk87_r1 Exchange | -3.202571400000000e-01 | -3.202535150000000e-01 | 4.000000000000000e-06 | -3.625000000007095e-06 | PASS |
| gga_x_dk87_r1 Int[n*v_xc] | -4.061488000000000e-01 | -4.061443300000000e-01 | 4.940000000000000e-06 | -4.469999999978658e-06 | PASS |