Input 03-xc.gga_c_pbe.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_c_pbe Eigenvalue up | -5.460620000000000e-01 | -5.460245000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_c_pbe Eigenvalue dn | -5.892670000000000e-01 | -5.892410000000000e-01 | 2.860000000000000e-05 | -2.599999999997049e-05 | PASS |
| gga_c_pbe Correlation | -1.453942000000000e-02 | -1.453929500000000e-02 | 1.380000000000000e-07 | -1.250000000001250e-07 | PASS |
| gga_c_pbe Int[n*v_xc] | -2.080348000000000e-02 | -2.080331000000000e-02 | 1.870000000000000e-07 | -1.700000000007251e-07 | PASS |