Input 03-xc.gga_c_pw91.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_c_pw91 Eigenvalue up | -6.279680000000000e-01 | -5.468995000000000e-01 | 4.130000000000000e-05 | -8.106849999999999e-02 | FAIL |
| gga_c_pw91 Eigenvalue dn | 1.314155700000000e+01 | -5.909370000000000e-01 | 2.860000000000000e-05 | 1.373249400000000e+01 | FAIL |
| gga_c_pw91 Correlation | 0.000000000000000e+00 | -1.535891500000000e-02 | 1.600000000000000e-07 | 1.535891500000000e-02 | FAIL |
| gga_c_pw91 Int[n*v_xc] | 0.000000000000000e+00 | -2.184213000000000e-02 | 2.200000000000000e-07 | 2.184213000000000e-02 | FAIL |