Input 03-xc.gga_x_lg93.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022a_omp

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 -3.208448100000000e-01 -3.208410700000000e-01 4.140000000000000e-06 -3.739999999974319e-06 PASS
gga_x_lg93 Int[n*v_xc] -4.073136900000000e-01 -4.073090900000000e-01 5.080000000000000e-06 -4.600000000021254e-06 PASS
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