How can cp2k compute Born effective charges

[zhj... at gmail.com]

OK, thanks!!

在 2016年5月27日星期五 UTC+8下午8:22:23，zhj... at gmail.com写道：
>
> Hi,
> I want to compute Spontaneous polarization of ferroelectric, but I cannot 
> find any commands to do this in cp2k, so I want to use Born effective 
> charges to compute Spontaneous polarization, but I don't know which 
> commands can be used. It's the FORCE_EVAL 
> <https://manual.cp2k.org/cp2k-3_0-branch/CP2K_INPUT/FORCE_EVAL.html>/
> PROPERTIES 
> <https://manual.cp2k.org/cp2k-3_0-branch/CP2K_INPUT/FORCE_EVAL/PROPERTIES.html>
> /FIT_CHARGE 
> <https://manual.cp2k.org/cp2k-3_0-branch/CP2K_INPUT/FORCE_EVAL/PROPERTIES/FIT_CHARGE.html>
>  ??
>
> Any ideas ?
> Thanks,
> Jiangsu Zhen
>
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