[Pw_forum] STEP-4 [Phonon]

[Eyvaz Isaev]

Dear Sanjeev,

Until you describe your problem more exactly, no one can help you.

I think nobody (except you) can understand what they are these mystery 4 steps.

Bests,
Eyvaz.

-------------------------------------------------------------------

Prof. Eyvaz Isaev, 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com

--- On Fri, 2/13/09, Sanjeev K. Gupta <sanjeev0302 at rediffmail.com> wrote:
From: Sanjeev K. Gupta <sanjeev0302 at rediffmail.com>
Subject: [Pw_forum] STEP-4 [Phonon]
To: pw_forum at pwscf.org
Date: Friday, February 13, 2009, 7:41 AM

Dear PWSCF user,


We get all phonons postive in step 4, but in step 5 some are negative.Does one really need to go for the step 5 for phonon dispersion curves. If yes then suggest the modification for step 5.


Sanjeev Gupta

S. K. Gupta

PhD Candidate,

Dept. of Physics,

Bhavnagar University.

Bhavnagar, 364 002., Gujarat.



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