Input 03-xc.gga_x_pbea.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2022a_mpi_opt

Matches

Name Value Reference Precision Difference Status
gga_x_pbea Eigenvalue up -9.648260000000000e-01 -9.647865000000000e-01 4.340000000000000e-05 -3.949999999997011e-05 PASS
gga_x_pbea Eigenvalue dn -8.113300000000000e-01 -8.112925000000000e-01 4.130000000000000e-05 -3.750000000002363e-05 PASS
gga_x_pbea Exchange -3.120151100000000e-01 -3.120116200000000e-01 3.840000000000000e-06 -3.489999999994886e-06 PASS
gga_x_pbea Int[n*v_xc] -4.002273100000000e-01 -4.002229500000000e-01 4.800000000000000e-06 -4.360000000036557e-06 PASS
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