[Pw_forum] Low energy phonon modes

[Stefano Baroni]

No. Not pw.x ph.x can. Like in any other system. Follow the following steps: 1) read the users' manual; 2) as indicated in (1) perform a scf calculation; 3) calculate the phonons. Enjoy. SB

On Jun 29, 2011, at 9:54 PM, Sanjeev Gupta wrote:

> Dear PWSCF user,
> Greeting
> 
> I would like to know weather PWSCF can calculate low energy phonon modes (call it acoustic phonons) for semiconductor nanostructure system like Silicon (size nearly 5 nm). If we see Raman spectra then some of low frequency mode in the range of 5- 50 cm-1. These modes are important in application.
> 
> How one can proceed to calculate?
> 
> Thanks in advance.
> 
> Best Regards
> 
> 
> Dr. Sanjeev K Gupta
> Researcher
> Dept. of Physics,
> Bhavnagar University
> Bhavnagar-364022
> Gujarat
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> Pw_forum at pwscf.org
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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