Input 02-xc_2d.gga_b88.inp
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-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) | -6.547465600000000e-01 | -6.547465600000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| GGA 2D B88 Int[n*v_xc] (libxc5) | -9.617432200000000e-01 | -9.617432100000000e-01 | 1.000000000000000e-04 | -1.000000005024759e-08 | PASS |