Input 03-xc.gga_x_pbe.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2022a_mpi

Matches

Name Value Reference Precision Difference Status
gga_x_pbe Eigenvalue up -9.680810000000000e-01 -9.680415000000000e-01 4.340000000000000e-05 -3.949999999997011e-05 PASS
gga_x_pbe Eigenvalue dn -8.161450000000000e-01 -8.161070000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_pbe Exchange -3.168007800000000e-01 -3.167971900000000e-01 3.950000000000000e-06 -3.589999999997762e-06 PASS
gga_x_pbe Int[n*v_xc] -4.037942900000000e-01 -4.037898600000000e-01 4.860000000000000e-06 -4.429999999999712e-06 PASS
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