Input 01-xc_1d.lda_csc.inp

Commits > Commit a707423db2dcfe1920cae26cacaed48d94544399 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
LDA CSC Eigenvalue 1 up -7.971009999999999e-01 -7.756400000000000e-01 3.880000000000000e-04 -2.146099999999995e-02 FAIL
LDA CSC Eigenvalue 2 up -1.672760000000000e-01 -1.545910000000000e-01 7.730000000000001e-06 -1.268500000000000e-02 FAIL
LDA CSC Eigenvalue 1 dn -7.751640000000000e-01 -7.500230000000000e-01 3.750000000000000e-05 -2.514099999999997e-02 FAIL
LDA CSC Eigenvalue 2 dn -8.743300000000000e-02 2.939000000000000e-03 1.470000000000000e-05 -9.037199999999999e-02 FAIL
LDA Exchange -1.002416260000000e+00 -1.019315000000000e+00 1.000000000000000e-04 1.689874000000002e-02 FAIL
LDA CSC Correlation -4.057819000000000e-02 -3.745068000000000e-02 1.000000000000000e-04 -3.127510000000000e-03 FAIL
LDA CSC Int[n*v_xc] -1.309698340000000e+00 -1.321913400000000e+00 1.000000000000000e-04 1.221505999999994e-02 FAIL
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