Input 03-xc.gga_xc_b97_d.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
gga_xc_b97_d Eigenvalue up -9.868370000000000e-01 -9.868770000000000e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_xc_b97_d Eigenvalue dn -8.794080000000000e-01 -8.794480000000000e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_xc_b97_d Correlation -3.405914000000000e-01 -3.405951950000000e-01 4.150000000000000e-06 3.795000000028637e-06 PASS
gga_xc_b97_d Int[n*v_xc] -4.315216900000000e-01 -4.315265750000000e-01 5.350000000000000e-06 4.885000000010020e-06 PASS
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