[Pw_forum] Application of QE (CP) in computing properties of polymers and liquid crystals

Mohammed Ghadiyali m786g at live.co.uk
Tue Nov 18 07:13:30 CET 2014


Hi,
I have a simple question can QE or CP can be used for computing properties of Polymers and Liquid Crystals. What I mean is if I run a calculation on a polymer in nscf/cp as insulator and compute their properties like Charge density, DOS and Band gap. will the results hold, if no what kind of code should be used?
Thank You.Ghadiyali Mohammed Kader.University of Mumbai. 		 	   		  
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