Input 03-xc.gga_c_xpbe.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_c_xpbe Eigenvalue up | -5.456200000000000e-01 | -5.456575000000000e-01 | 4.130000000000000e-05 | 3.750000000002363e-05 | PASS |
| gga_c_xpbe Eigenvalue dn | -5.877930000000000e-01 | -5.878190000000000e-01 | 2.860000000000000e-05 | 2.599999999997049e-05 | PASS |
| gga_c_xpbe Correlation | -1.404628000000000e-02 | -1.404643000000000e-02 | 1.650000000000000e-07 | 1.499999999991092e-07 | PASS |
| gga_c_xpbe Int[n*v_xc] | -2.022449000000000e-02 | -2.022469000000000e-02 | 2.200000000000000e-07 | 1.999999999988122e-07 | PASS |