Input 03-xc.gga_x_dk87_r1.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
gga_x_dk87_r1 Eigenvalue up -9.703800000000000e-01 -9.704200000000001e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_x_dk87_r1 Eigenvalue dn -8.183270000000000e-01 -8.183650000000000e-01 4.180000000000000e-05 3.799999999998249e-05 PASS
gga_x_dk87_r1 Exchange -3.202498600000000e-01 -3.202535150000000e-01 4.000000000000000e-06 3.654999999991304e-06 PASS
gga_x_dk87_r1 Int[n*v_xc] -4.061398100000000e-01 -4.061443300000000e-01 4.940000000000000e-06 4.520000000007851e-06 PASS
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