Input 03-xc.gga_x_optx.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
gga_x_optx Eigenvalue up -9.753220000000000e-01 -9.753615000000000e-01 4.340000000000000e-05 3.949999999997011e-05 PASS
gga_x_optx Eigenvalue dn -8.254250000000000e-01 -8.254625000000000e-01 4.130000000000000e-05 3.750000000002363e-05 PASS
gga_x_optx Exchange -3.283216000000000e-01 -3.283253150000000e-01 4.080000000000000e-06 3.715000000015234e-06 PASS
gga_x_optx Int[n*v_xc] -4.115129300000000e-01 -4.115172800000000e-01 4.760000000000000e-06 4.349999999986309e-06 PASS
Compare to other inputs