Input 03-xc.lda_c_pz_mod.inp

Commits > Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
lda_c_pz_mod Eigenvalue up -5.640670000000000e-01 -5.641045000000000e-01 4.130000000000000e-05 3.750000000002363e-05 PASS
lda_c_pz_mod Eigenvalue dn -6.298020000000000e-01 -6.298295000000000e-01 3.030000000000000e-05 2.750000000006914e-05 PASS
lda_c_pz_mod Correlation -3.787685000000000e-02 -3.787722500000000e-02 4.130000000000000e-07 3.750000000038445e-07 PASS
lda_c_pz_mod Int[n*v_xc] -4.338427000000000e-02 -4.338467500000000e-02 4.450000000000000e-07 4.049999999949927e-07 PASS
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