Input 03-xc.gga_c_p86.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_min_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_c_p86 Eigenvalue up | -5.442740000000000e-01 | -5.442365000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_c_p86 Eigenvalue dn | -5.977460000000000e-01 | -5.977200000000000e-01 | 2.860000000000000e-05 | -2.599999999997049e-05 | PASS |
| gga_c_p86 Correlation | -1.385542000000000e-02 | -1.385534000000000e-02 | 8.799999999999999e-08 | -7.999999999952490e-08 | PASS |
| gga_c_p86 Int[n*v_xc] | -2.106869000000000e-02 | -2.106853500000000e-02 | 1.700000000000000e-07 | -1.550000000016816e-07 | PASS |