can i compute polarization whit abinit6.0.4?

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mina
Posts: 110
Joined: Mon Sep 27, 2010 8:44 am

can i compute polarization whit abinit6.0.4?

Post by mina » Tue Oct 12, 2010 2:46 pm

Hello.
i want to calculate polarization,can i do it by any version?can i do it by abinit6.0.4?
thankyou.
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jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: can i compute polarization whit abinit6.0.4?

Post by jzwanzig » Tue Oct 12, 2010 10:12 pm

6.0.4 implements the modern theory of polarization using norm-conserving pseudopotentials, later versions (notably 6.4.1) also implement it with PAW.
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
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