[Pw_forum] what' the meaning of *.axsf file by dynmat.x

[Paolo Giannozzi]

On Tuesday 30 May 2006 11:09, 针叶 朱 wrote:

>i have calculate LO-TO splitting of PbTiO3 by dynmat.x.
>the result is good. but i do not know the meaning of pt.axsf file.

the *.axsf file contains data to be plotted by XcrySDen, not for
visual inspection

>   in pt.axsf file, why the soft mode become zero?

because negative (i.e. imaginary) frequencies are set to zero.
You can change it if you want.

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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