Input 03-xc.gga_x_pw86.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
gga_x_pw86 Eigenvalue up -9.730750000000000e-01 -9.731150000000000e-01 4.400000000000000e-05 3.999999999992898e-05 PASS
gga_x_pw86 Eigenvalue dn -8.214380000000000e-01 -8.214764999999999e-01 4.230000000000000e-05 3.849999999994136e-05 PASS
gga_x_pw86 Exchange -3.223392100000000e-01 -3.223429850000000e-01 4.130000000000000e-06 3.775000000039164e-06 PASS
gga_x_pw86 Int[n*v_xc] -4.089180100000000e-01 -4.089226650000000e-01 5.100000000000000e-06 4.654999999964549e-06 PASS
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