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

vega lew quantumdft at gmail.com
Sun Jan 24 03:27:59 CET 2010


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
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