Input 03-xc.gga_x_dk87_r1.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2022a_mpi_min

Matches

Name Value Reference Precision Difference Status
gga_x_dk87_r1 Eigenvalue up -9.704600000000000e-01 -9.704200000000001e-01 4.400000000000000e-05 -3.999999999992898e-05 PASS
gga_x_dk87_r1 Eigenvalue dn -8.184030000000000e-01 -8.183650000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_dk87_r1 Exchange -3.202571500000000e-01 -3.202535150000000e-01 4.000000000000000e-06 -3.635000000001831e-06 PASS
gga_x_dk87_r1 Int[n*v_xc] -4.061488200000000e-01 -4.061443300000000e-01 4.940000000000000e-06 -4.490000000023642e-06 PASS
Compare to other inputs