Input 02-xc_2d.gga_b88.inp
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run GCI_intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| GGA 2D B88 eigenvalue 1 up (libxc5) | 7.582170000000000e-01 | 7.582170000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| GGA 2D B88 eigenvalue 2 up (libxc5) | 9.341450000000000e-01 | 9.341450000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| GGA 2D B88 eigenvalue 1 dn | 1.169397000000000e+00 | 1.169397000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| GGA 2D B88 eigenvalue 2 dn | 1.224726000000000e+00 | 1.224726000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| GGA 2D B88 Exchange (libxc5) | -6.547465700000000e-01 | -6.547465600000000e-01 | 1.000000000000000e-04 | -1.000000005024759e-08 | PASS |
| GGA 2D B88 Int[n*v_xc] (libxc5) | -9.617432400000000e-01 | -9.617432100000000e-01 | 1.000000000000000e-04 | -3.000000003972048e-08 | PASS |