Input 03-xc.gga_c_pw91.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_c_pw91 Eigenvalue up | -5.469370000000000e-01 | -5.468995000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_c_pw91 Eigenvalue dn | -5.909630000000000e-01 | -5.909370000000000e-01 | 2.860000000000000e-05 | -2.599999999997049e-05 | PASS |
| gga_c_pw91 Correlation | -1.535906000000000e-02 | -1.535891500000000e-02 | 1.600000000000000e-07 | -1.450000000000062e-07 | PASS |
| gga_c_pw91 Int[n*v_xc] | -2.184233000000000e-02 | -2.184213000000000e-02 | 2.200000000000000e-07 | -1.999999999988122e-07 | PASS |