Input 03-xc.gga_x_optpbe_vdw.inp

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

Matches

Name Value Reference Precision Difference Status
gga_x_optpbe_vdw Eigenvalue up -9.505730000000000e-01 -9.637485000000000e-01 4.340000000000000e-05 1.317550000000001e-02 FAIL
gga_x_optpbe_vdw Eigenvalue dn -4.864720000000000e-01 -8.137915000000000e-01 4.130000000000000e-05 3.273195000000000e-01 FAIL
gga_x_optpbe_vdw Exchange 0.000000000000000e+00 -3.146356050000000e-01 3.900000000000000e-06 3.146356050000000e-01 FAIL
gga_x_optpbe_vdw Int[n*v_xc] 0.000000000000000e+00 -3.998924350000000e-01 4.760000000000000e-06 3.998924350000000e-01 FAIL
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