Input 03-xc.gga_x_lg93.inp

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Run cmake_foss_2022a_full_mpi

Matches

Name Value Reference Precision Difference Status
gga_x_lg93 Eigenvalue up -9.714180000000000e-01 -9.713780000000001e-01 4.400000000000000e-05 -3.999999999992898e-05 PASS
gga_x_lg93 Eigenvalue dn -8.203960000000000e-01 -8.203575000000001e-01 4.230000000000000e-05 -3.849999999994136e-05 PASS
gga_x_lg93 Exchange -3.208448300000000e-01 -3.208410700000000e-01 4.140000000000000e-06 -3.760000000019303e-06 PASS
gga_x_lg93 Int[n*v_xc] -4.073137100000000e-01 -4.073090900000000e-01 5.080000000000000e-06 -4.620000000010727e-06 PASS
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