Input 03-xc.gga_c_p86.inp
Commits >
Commit 68887e7ef149674fa38f143e8d88a44249e6d867 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_c_p86 Eigenvalue up | -5.441990000000000e-01 | -5.442365000000000e-01 | 4.130000000000000e-05 | 3.750000000002363e-05 | PASS |
| gga_c_p86 Eigenvalue dn | -5.976939999999999e-01 | -5.977200000000000e-01 | 2.860000000000000e-05 | 2.600000000008151e-05 | PASS |
| gga_c_p86 Correlation | -1.385526000000000e-02 | -1.385534000000000e-02 | 8.799999999999999e-08 | 8.000000000125962e-08 | PASS |
| gga_c_p86 Int[n*v_xc] | -2.106838000000000e-02 | -2.106853500000000e-02 | 1.700000000000000e-07 | 1.549999999982121e-07 | PASS |