Input 02-xc_2d.gga_b86_mgc.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| GGA 2D B86 MGC eigenvalue 1 up (libxc5) | 2.031691400000000e+01 | 7.612770000000000e-01 | 1.000000000000000e-04 | 1.955563700000000e+01 | FAIL |
| GGA 2D B86 MGC eigenvalue 2 up (libxc5) | 6.433723000000001e+01 | 9.398910000000000e-01 | 1.000000000000000e-04 | 6.339733900000000e+01 | FAIL |
| GGA 2D B86 MGC eigenvalue 1 dn | 2.057152800000000e+01 | 1.169397000000000e+00 | 1.000000000000000e-04 | 1.940213100000000e+01 | FAIL |
| GGA 2D B86 MGC eigenvalue 2 dn | 6.527452200000000e+01 | 1.224726000000000e+00 | 1.000000000000000e-04 | 6.404979600000000e+01 | FAIL |
| GGA 2D B86 MGC Exchange (libxc5) | -1.752520400000000e-01 | -6.454382100000000e-01 | 1.000000000000000e-04 | 4.701861700000000e-01 | FAIL |
| GGA 2D B86 MGC Int[n*v_xc] (libxc5) | -2.610183100000000e-01 | -9.529358700000000e-01 | 1.000000000000000e-04 | 6.919175600000000e-01 | FAIL |