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can i compute polarization whit abinit6.0.4?

Posted: Tue Oct 12, 2010 2:46 pm
by mina
Hello.
i want to calculate polarization,can i do it by any version?can i do it by abinit6.0.4?
thankyou.

Re: can i compute polarization whit abinit6.0.4?

Posted: Tue Oct 12, 2010 10:12 pm
by jzwanzig
6.0.4 implements the modern theory of polarization using norm-conserving pseudopotentials, later versions (notably 6.4.1) also implement it with PAW.