Input 03-xc.gga_x_dk87_r2.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2022a_mpi_opt

Matches

Name Value Reference Precision Difference Status
gga_x_dk87_r2 Eigenvalue up -9.704180000000000e-01 -9.703780000000000e-01 4.400000000000000e-05 -4.000000000004000e-05 PASS
gga_x_dk87_r2 Eigenvalue dn -8.182790000000000e-01 -8.182410000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_dk87_r2 Exchange -3.200741600000000e-01 -3.200705250000000e-01 4.000000000000000e-06 -3.635000000001831e-06 PASS
gga_x_dk87_r2 Int[n*v_xc] -4.060904500000000e-01 -4.060859600000000e-01 4.940000000000000e-06 -4.490000000023642e-06 PASS
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