[Pw_forum] xml format for dynamical matrix

Umesh Roy umesh24crp at gmail.com
Sun Jun 14 08:36:37 CEST 2015

Dear All,
           I want to calculate phonon  for q grid nq1=8, nq2=8, nq3=8 for
Gold. As I run the program for phonon , the dynamical matrices are written
in the xml format. So could not able to get the interatomic force
constant(IFC) from there.  Why are dynamical matrices written in the xml
format? How to get IFC from there? Please help.

       Thank you in advance.

Chandra RoyResearch Scholar, School of Physical SciencesJawaharlal Nehru
University, New Delhi-110067,*


*Email:umesh24crp at gmail.com <Email%3Aumesh24crp at gmail.com>*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150614/40fb5256/attachment.html>

More information about the users mailing list