[Pw_forum] Dear Professor
Stefano Baroni
baroni at sissa.it
Tue Apr 29 15:54:06 CEST 2008
Dear Hua Peng: please, refer to the pw_form mailing list that you can
subscribe from
http://www.pwscf.org
The calculation of phonon lifetimes from third-order perturbaton
theory is discussed, e.g., in
A. Debernardi, S. Baroni, and E. Molinari, Phys. Rev. Lett. 75, 1819 -
1822 (1995)
See also Dbernardi's PhD thesis: Anharmonic Properties of
Semiconductors from Density Functional Perturbation Theory
Best wishes - SB
On Apr 29, 2008, at 3:05 PM, penghua8503 wrote:
>
>
>
> Dear Professor Baroni,
> I am a postgraduate student from Shandong University in China I
> run example14 in PWscf to calculate phonon life of Si. I got a
> file(si.anh_G)produced by d3.x. But I do not understand the results
> of it Are these dates the third derivative of energy? Using the file
> in the result, how can I get the phonon life? Could you give me some
> reference article? I really appreciate your help.
> Thanks again for reading this mail.
> Sincerely yours
> Hua Peng
>
> Hua Peng
> School of Physics
> Shandong University, Jinan 25100
> People' Republic of Chin
>
>
> 独栋情境别墅230万起,品鉴热线:60692999
---
Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center -
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)
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