Input 03-xc.gga_x_lb.inp

Commits > Commit 3f3300a09a325083399ad405019c399609c6d1c2 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_lb Eigenvalue up -1.078486000000000e+00 -1.125998000000000e+00 4.510000000000000e-05 4.751200000000000e-02 FAIL
gga_x_lb Eigenvalue dn -4.864840000000000e-01 -9.455880000000001e-01 4.840000000000000e-05 4.591040000000001e-01 FAIL
gga_x_lb Exchange 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
gga_x_lb Int[n*v_xc] 0.000000000000000e+00 -5.560516900000000e-01 7.390000000000000e-06 5.560516900000000e-01 FAIL
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