Input 03-xc.gga_xc_edf1.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
gga_xc_edf1 Eigenvalue up | -9.570930000000000e-01 | -9.889015000000000e-01 | 4.450000000000000e-05 | 3.180850000000002e-02 | FAIL |
gga_xc_edf1 Eigenvalue dn | -5.577310000000000e-01 | -8.629195000000001e-01 | 4.120000000000000e-05 | 3.051885000000001e-01 | FAIL |
gga_xc_edf1 Correlation | 0.000000000000000e+00 | -3.415181650000000e-01 | 4.130000000000000e-06 | 3.415181650000000e-01 | FAIL |
gga_xc_edf1 Int[n*v_xc] | 0.000000000000000e+00 | -4.298403450000000e-01 | 5.160000000000000e-06 | 4.298403450000000e-01 | FAIL |