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 *****************************************
