[Pw_forum] HOMO, LUMO isosurfaces. NCPP or USPP, which is more accurate?

Yavar Taghipour Azar ytaghipour at aeoi.org.ir
Sat Jul 7 15:54:08 CEST 2012


 
Dear QE users.
 
 
I want to plot HOMO, LUMO isosurfaces. what is the physical origin of 
difference between results from choosing USPP with NCPP? 
 Thanks in advance.
 
 
-------------------------------------------
Yavar Taghipour Azar
PhD Student
Physics Group, AEOI
Tehran-Iran
 
Email: ytaghipour at aeoi.org.ir
Phone: +98 (0) 21 82064556
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