Input 03-xc.gga_x_pw86.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run cmake_foss_2022a_full_mpi

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 -3.223467400000000e-01 -3.223429850000000e-01 4.130000000000000e-06 -3.754999999994180e-06 PASS
gga_x_pw86 Int[n*v_xc] -4.089273000000000e-01 -4.089226650000000e-01 5.100000000000000e-06 -4.635000000030587e-06 PASS
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