[SIESTA-L] How to deal with charged systems in siesta?

[Wei Hu]

Dear siesta users,

    I have done some calculations on charged systems in siesta. But there are 
some questions.

    Three parameter settings have been used in my work: 
   
    NetCharge

    SimulateDoping

    SlabDipoleCorrection

    The parameter settings SimulateDoping and labDipoleCorrection are 
introducted in relatively new version of siesta (3.0and 3.1),but no in 
siesta-2.0.2. 

    The question is how to deal with charged systems in siesta-2.0.2 about the 
background charge density? 

    I have checked the Src, it seems plus a compensating homogeneous background 
for all mesh points in supercell?

    In madelung.f, why is madelung model only for atom and molecule, but not 
for chain,slab,bulk systems? 

    Antoher question in doping.f, why does the SimulateDoping have high effect 
on total energy calculations for slab, but no for molecule from my test?

    Best wishes, wei.