[Wien] about electronic charge density distribution and the corresponding electrostatic potential

[liujuan804@sina.com]

 Dear Peter :
     When I study supercell of GaAs/AlAs  (001) heterojunctions, I want to get  discontinuities properties of the interfaces.  The supercell self-consistent calculations provide the electronic charge density distribution and the corresponding electrostatic potential. In order to get  planar average of the electron density,  ρ(z) =1/S ({ { S ρ (r ) dx dy )  , and to integrate ρ (r ) , I need to know the ρ (x, y, z ) . But lapw5 can only give me ρ(x,y)  for one vertical plane each time , how can I get all ρ (x, y,z) corresponding to the whole supercell lattice , is the data were kept in case.clmsum? In case.clmsum , there are many datas, how can I transform these data to ρ (x, y,z) ?
thanks!
 klyao

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