Input 01-xc_1d.lda_csc.inp

Commits > Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
LDA CSC Eigenvalue 1 up -7.971009999999999e-01 -7.971009999999999e-01 3.990000000000000e-07 0.000000000000000e+00 PASS
LDA CSC Eigenvalue 2 up -1.672760000000000e-01 -1.672760000000000e-01 8.360000000000000e-06 0.000000000000000e+00 PASS
LDA CSC Eigenvalue 1 dn -7.751640000000000e-01 -7.751640000000000e-01 3.880000000000000e-05 0.000000000000000e+00 PASS
LDA CSC Eigenvalue 2 dn -8.743300000000000e-02 -8.743300000000001e-02 4.370000000000000e-07 1.387778780781446e-17 PASS
LDA Exchange -1.002416260000000e+00 -1.002416260000000e+00 5.010000000000000e-08 0.000000000000000e+00 PASS
LDA CSC Correlation -4.057819000000000e-02 -4.057819000000000e-02 2.030000000000000e-07 0.000000000000000e+00 PASS
LDA CSC Int[n*v_xc] -1.309698340000000e+00 -1.309698340000000e+00 6.550000000000000e-08 2.220446049250313e-16 PASS
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