Input 03-xc.gga_x_pbe_r.inp

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
gga_x_pbe_r Eigenvalue up -9.720850000000000e-01 -9.720450000000000e-01 4.400000000000000e-05 -3.999999999992898e-05 PASS
gga_x_pbe_r Eigenvalue dn -8.229290000000000e-01 -8.228910000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_pbe_r Exchange -3.239907400000000e-01 -3.239870300000000e-01 4.090000000000000e-06 -3.709999999990110e-06 PASS
gga_x_pbe_r Int[n*v_xc] -4.083539800000000e-01 -4.083495100000000e-01 4.940000000000000e-06 -4.470000000034169e-06 PASS
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