[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
--
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Vega Lew ( weijia liu)
Graduate students
State Key Laboratory of Materials-oriented Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
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Email: vegalew at gmail.com
Office: Room A705, Technical Innovation Building, Xinmofan Road 5#,
Nanjing, Jiangsu, China
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