[Pw_forum] 2D electron gas

[Stefano Baroni]

Hi, R. Ebrahaami: I am puzzled by the question. You mean an atomic  
pseudpotential generated with a 2D XC energy? Real 2D systems are made  
by 3D atoms, which obviously require XC ata from 3D simulations. 2D  
models, of course, also exist (such as the 2D electron gas), but they  
do not require any pseudopotential. Or am I wrong? SB

On Jan 7, 2009, at 4:59 PM, Reza Ebraahimi wrote:

> Hello everyone
> As i understand, the use of the different approximations for XC  
> energy in the code is defined by the kind of psedopotentials we use.
> I want to know that if someone tries to study 2D systems, is it  
> possible in the code to generate PP's which the XC energy is  
> calculated by the mean of 2D electron gas database (For example the  
> work done by Tanatar & Ceperley, PRB 39, 5005(1989))?
> Thank You
> R.Ebraahimi -- graduate student
> Tehran University
>
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
http://www.sissa.it/~baroni / [+39] 040 3787 406 (tel) -528 (fax) /  
stefanobaroni (skype)

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