[Pw_forum] 2D electron gas

[Reboredo, Fernando A.]

Dear Ebraahimi,

I imagine that you want to use real atoms the system is not 2D but just
quasi-2D. In that case one just uses the standard 3D approximations.

In local and quasi-local approximations of the energy functional (LDA
PBE) the long range dimensionality of the system is not taken into
account.

The calculations by Tanatar are for strictly two dimensional systems. 

Fernando Reboredo

 

________________________________

From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
Behalf Of Reza Ebraahimi
Sent: Wednesday, January 07, 2009 11:00 AM
To: pw_forum at pwscf.org
Subject: [Pw_forum] 2D electron gas

 

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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