[Pw_forum] Polarization vectors and force constants file format

Iyad AL-QASIR iyad.ne at gmail.com
Thu May 3 23:18:18 CEST 2012


Hello,
I have few questions, It would be kind of you could answer:
1- How can I get the polarization vector correspond to each eigenvalue(
phonon frequency). I know when I run ph.x for each q-vector, I get the
phonon frequencies and the corresponding polarization vectors for each
atom. But I want the polarization vectors also when I run matdyn.x, because
I am calculating the frequencies for a large number of q-vectors ans it is
not practical to run ph.x for a large mesh of q-vectors.

2- Anyone could explain to me the format of the force constants file *.fc

Thank you very much.
_______________________________
IYAD I. AL-QASIR, PhD
Research Associate
ORNL
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120503/bd9edbea/attachment.html>


More information about the users mailing list