Input 03-xc.gga_c_lyp.inp
Commits >
Commit 68887e7ef149674fa38f143e8d88a44249e6d867 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_c_lyp Eigenvalue up | -5.413850000000000e-01 | -5.414225000000000e-01 | 4.130000000000000e-05 | 3.750000000002363e-05 | PASS |
| gga_c_lyp Eigenvalue dn | -5.890190000000000e-01 | -5.890445000000000e-01 | 2.810000000000000e-05 | 2.550000000001162e-05 | PASS |
| gga_c_lyp Correlation | -1.069969000000000e-02 | -1.069975500000000e-02 | 7.150000000000000e-08 | 6.500000000048134e-08 | PASS |
| gga_c_lyp Int[n*v_xc] | -1.708220000000000e-02 | -1.708247500000000e-02 | 3.030000000000000e-07 | 2.750000000009689e-07 | PASS |