Input 03-xc.gga_x_b86_mgc.inp

Commits > Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_b86_mgc Eigenvalue up -9.563560000000000e-01 -9.711220000000000e-01 4.400000000000000e-05 1.476600000000006e-02 FAIL
gga_x_b86_mgc Eigenvalue dn -4.864720000000000e-01 -8.191180000000000e-01 4.180000000000000e-05 3.326460000000000e-01 FAIL
gga_x_b86_mgc Exchange 0.000000000000000e+00 -3.202705900000000e-01 4.010000000000000e-06 3.202705900000000e-01 FAIL
gga_x_b86_mgc Int[n*v_xc] 0.000000000000000e+00 -4.068564700000000e-01 4.930000000000000e-06 4.068564700000000e-01 FAIL
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