[Pw_forum] Fourier interpolation

[Eyvaz Isaev]

Dear Sonu,

Of course, there is no cutoff energy  in phonon input file. But the second order 
derivatives to define  phonons are  related to the charge density and its first 
order derivative. So,  phonons are dependent on the cutoff energy. In its turn, 
the cutoff energy is connected to a Pseudo-type used.  


Yes, I meant tr2_ph parameter. 

Bests,
Eyvaz.

 -------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 
Sweden 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 
Russia, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com




________________________________
From: sonu kumar <1009ukumar at gmail.com>
To: pw_forum at pwscf.org
Sent: Sat, July 31, 2010 7:41:07 AM
Subject: Re: [Pw_forum] Fourier interpolation

Dear Prof. Eyvaz Isaev and QE users,
> Play around cutoff energy and the threshold parameter for phonons.


where is the cutoff energy parameter related to phonon calculations?

i couldn't find it in the manual for ph.x. Only "tr2_ph"  theshold parameter is 
there in addition to "eth_rps" and "eth_ns" parameters for Raman calculations.

i am sorry if am wrong.
Thank you very much.

With Kind Regards,
Sonu Kumar
Phd Student
Physics Department
IIT Delhi


      
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