[Pw_forum] What is the different between Born effective charge and effective

[Paolo Giannozzi]

On Friday 08 July 2005 17:31, Diep Vinh Quang wrote:

> What is the different between Born effective charge and the
> above effective charge? Or are they the same?

they are meant to be the same

> And on the other hand, how can we impose sysmetry condition
> for the calculation of Z* (sum of Z* of each atom in one direction
> must = zero) 

use code "dynmat.x" if you are interested in the q=0 case only

Paolo

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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