Input 03-xc.gga_x_pbe_jsjr.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
gga_x_pbe_jsjr Eigenvalue up -9.579370000000000e-01 -9.579770000000001e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_x_pbe_jsjr Eigenvalue dn -8.066220000000000e-01 -8.066590000000000e-01 4.070000000000000e-05 3.700000000006476e-05 PASS
gga_x_pbe_jsjr Exchange -3.072045300000000e-01 -3.072079250000000e-01 3.750000000000000e-06 3.395000000017134e-06 PASS
gga_x_pbe_jsjr Int[n*v_xc] -3.938444400000000e-01 -3.938486600000000e-01 4.640000000000000e-06 4.219999999999224e-06 PASS
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