[Pw_forum] Phonon calculations - separating modes

Vo, Trinh (388C) Trinh.Vo at jpl.nasa.gov
Mon Mar 29 20:12:46 CEST 2010


Thanks chi Lanh.  I sent the check (for charity) yesterday.  Whenever you receive it, could you let me know.  I just would like to make sure the check is not lost.

Thanks a lot,

Trinh

P.S.  Yesterday, Si~ emailed.  He said that PTTA told hime to meditate more hours (at least 3h per night).  It is more urgent now.  I guess sth is about to happen.  That is why PTTA urges him to meditate.  He said that a few more years he and anh Loc will go to “Vung Kinh Te moi”.  I guess he meant VN.


On 3/29/10 10:43 AM, "Sheena Shah" <sheena.shah at materials.ox.ac.uk> wrote:

Dear all

I am trying to run a phonon calculation (ph.x) by splitting up the modes into different calculations using start_irr and last_irr.  I am having troubles in the recombination process to create a phonon dispersion.  The frequencies are correct but I am unable to use the potential file (dv1) for  doing electron phonon coupling calculations. Can someone please help me with this?

Many thanks

Sheena Shah
University of Oxford

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100329/3c58af61/attachment.html>


More information about the users mailing list