Input 02-xc_2d.gga_b88.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2022a_mpi_debug

Matches

Name Value Reference Precision Difference Status
GGA 2D B88 eigenvalue 1 up (libxc5) 7.582170000000000e-01 7.582170000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D B88 eigenvalue 2 up (libxc5) 9.341450000000000e-01 9.341450000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D B88 eigenvalue 1 dn 1.169397000000000e+00 1.169397000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D B88 eigenvalue 2 dn 1.224726000000000e+00 1.224726000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
GGA 2D B88 Exchange (libxc5) -6.547465700000000e-01 -6.547465600000000e-01 1.000000000000000e-04 -1.000000005024759e-08 PASS
GGA 2D B88 Int[n*v_xc] (libxc5) -9.617432400000000e-01 -9.617432100000000e-01 1.000000000000000e-04 -3.000000003972048e-08 PASS
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