Input 03-xc.gga_c_xpbe.inp
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_c_xpbe Eigenvalue up | -5.456950000000000e-01 | -5.456575000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_c_xpbe Eigenvalue dn | -5.878450000000000e-01 | -5.878190000000000e-01 | 2.860000000000000e-05 | -2.599999999997049e-05 | PASS |
| gga_c_xpbe Correlation | -1.404658000000000e-02 | -1.404643000000000e-02 | 1.650000000000000e-07 | -1.500000000008439e-07 | PASS |
| gga_c_xpbe Int[n*v_xc] | -2.022489000000000e-02 | -2.022469000000000e-02 | 2.200000000000000e-07 | -1.999999999988122e-07 | PASS |