Input 03-xc.gga_x_dk87_r1.inp

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

Matches

Name Value Reference Precision Difference Status
gga_x_dk87_r1 Eigenvalue up -9.560689999999999e-01 -9.704200000000001e-01 4.400000000000000e-05 1.435100000000011e-02 FAIL
gga_x_dk87_r1 Eigenvalue dn -4.864720000000000e-01 -8.183650000000000e-01 4.180000000000000e-05 3.318930000000000e-01 FAIL
gga_x_dk87_r1 Exchange 0.000000000000000e+00 -3.202535150000000e-01 4.000000000000000e-06 3.202535150000000e-01 FAIL
gga_x_dk87_r1 Int[n*v_xc] 0.000000000000000e+00 -4.061443300000000e-01 4.940000000000000e-06 4.061443300000000e-01 FAIL
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