Input 03-xc.gga_c_pbe.inp

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_c_pbe Eigenvalue up -5.459870000000000e-01 -5.460245000000000e-01 4.130000000000000e-05 3.750000000002363e-05 PASS
gga_c_pbe Eigenvalue dn -5.892150000000000e-01 -5.892410000000000e-01 2.860000000000000e-05 2.599999999997049e-05 PASS
gga_c_pbe Correlation -1.453917000000000e-02 -1.453929500000000e-02 1.380000000000000e-07 1.250000000001250e-07 PASS
gga_c_pbe Int[n*v_xc] -2.080314000000000e-02 -2.080331000000000e-02 1.870000000000000e-07 1.699999999972557e-07 PASS
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