Input 03-xc.gga_x_pw86.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_ppc_autotools: [foss2022a-serial]

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
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