Input 03-xc.gga_x_pw86.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss-cmake: [foss2022a-serial, foss-min]
Matches
Name | Value | Reference | Precision | Difference | Status |
gga_x_pw86 Eigenvalue up | -9.731550000000000e-01 | -9.731150000000000e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
gga_x_pw86 Eigenvalue dn | -8.215150000000000e-01 | -8.214764999999999e-01 | 4.230000000000000e-05 | -3.850000000005238e-05 | PASS |
gga_x_pw86 Exchange | -3.223467200000000e-01 | -3.223429850000000e-01 | 4.130000000000000e-06 | -3.734999999949196e-06 | PASS |
gga_x_pw86 Int[n*v_xc] | -4.089272800000000e-01 | -4.089226650000000e-01 | 5.100000000000000e-06 | -4.615000000041114e-06 | PASS |