Input 03-xc.gga_c_pbe_sol.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss-serial-debug: [foss2023a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
gga_c_pbe_sol Eigenvalue up | -5.490010000000000e-01 | -5.489645000000001e-01 | 4.120000000000000e-05 | -3.649999999988385e-05 | PASS |
gga_c_pbe_sol Eigenvalue dn | -5.958599999999999e-01 | -5.958350000000000e-01 | 2.860000000000000e-05 | -2.499999999994174e-05 | PASS |
gga_c_pbe_sol Correlation | -1.754553000000000e-02 | -1.754537500000000e-02 | 1.700000000000000e-07 | -1.549999999982121e-07 | PASS |
gga_c_pbe_sol Int[n*v_xc] | -2.447367000000000e-02 | -2.447345500000000e-02 | 2.360000000000000e-07 | -2.150000000013252e-07 | PASS |