Input 03-xc.gga_c_xpbe.inp

Commits > Commit bae4500c7a0d1ba65b012093daf21b2d064fac81 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
gga_c_xpbe Eigenvalue up -5.456200000000000e-01 -5.456575000000000e-01 4.130000000000000e-05 3.750000000002363e-05 PASS
gga_c_xpbe Eigenvalue dn -5.877930000000000e-01 -5.878190000000000e-01 2.860000000000000e-05 2.599999999997049e-05 PASS
gga_c_xpbe Correlation -1.404628000000000e-02 -1.404643000000000e-02 1.650000000000000e-07 1.499999999991092e-07 PASS
gga_c_xpbe Int[n*v_xc] -2.022449000000000e-02 -2.022469000000000e-02 2.200000000000000e-07 1.999999999988122e-07 PASS
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