[Pw_forum] How to get the interatomic force constant tensor?

[Eyvaz Isaev]

Dear Lijin,

I have explained this one before in the forume. Please search the forum archive. 

Please also provide your affiliation.

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 Tue, 3/17/09, jin li <lijin.phy at gmail.com> wrote:

> From: jin li <lijin.phy at gmail.com>
> Subject: [Pw_forum] How to get the interatomic force constant tensor?
> To: pw_forum at pwscf.org
> Date: Tuesday, March 17, 2009, 4:33 AM
> Dear all:
>        Following the example 06, alas444.fc has been
> got. Would
> somebody give me some explaination about this file? And
> customarily,
> the IFC matrix is
> [ K11  K12  K13 ... K1N ]
> [ K21  K22  K23 ... K2N ]
> [ ....                       ...  
> ]
> [ KN1  KN2  KN3 ...KNN]
> How to transform this IFC in this file to the above
> form?
> Best wishes,
> lijin
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