[Pw_forum] Could we plot HOMO & LUMO for slab model in QE

[Nicholas E. Singh-Miller]

Dear Vega,

With pp.x you can plot |psi|^2 for any band at a given k-point. Check out 
the Doc/INPUT_PP.txt for more info.

Hope that helps,

Nick

On Sun, 24 Jan 2010, vega lew wrote:

> Dear all,
> 
> I want to explain something in very chemical viewpoint. So HOMO and LUMO
> is very important. I am wondering whether we could plot HOMO, HOMO-1,
> HOMO-2 or LUMO etc for slab model in QE.
> 
> thank you for reading
> 
> best,
> 
> vega
> 
> --
> 
> ================================================================================
> ==
> Vega Lew ( weijia liu)
> Graduate students
> State Key Laboratory of Materials-oriented Chemical Engineering
> Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
> ********************************************************************************
> ***************
> Email: vegalew at gmail.com
> Office: Room A705, Technical Innovation Building, Xinmofan Road 5#,
> Nanjing, Jiangsu, China
> ********************************************************************************
> ***************
> 
> 
>

*****************************************
Nicholas E. Singh-Miller
Prof. Marzari Group (quasiamore.mit.edu)
Materials Science and Engineering
Massachusetts Institute of Technology
13-4066
(617)324-0372
*****************************************