Input 03-xc.gga_x_lb.inp

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Run foss-mpi-min: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_lb Eigenvalue up -1.126039000000000e+00 -1.125998000000000e+00 4.510000000000000e-05 -4.099999999995774e-05 PASS
gga_x_lb Eigenvalue dn -9.456320000000000e-01 -9.455880000000001e-01 4.840000000000000e-05 -4.399999999993298e-05 PASS
gga_x_lb Exchange 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
gga_x_lb Int[n*v_xc] -5.560584100000000e-01 -5.560516900000000e-01 7.390000000000000e-06 -6.720000000015602e-06 PASS
Compare to other inputs