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Re: [abinit-forum] Question of calculating phonon


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  • From: jinhong zhang <zhangjinhong2009@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Question of calculating phonon
  • Date: Tue, 23 Jun 2009 22:39:36 +0800
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Thank you very much Adam, I have another question. If I just want to get IR and Raman tenser at Gamma. Must I calculate all q vectors in BZ?
 
Thanx again:)
 
Fan

 
2009/6/20, Adam Sorini <asorini@gmail.com>:
Hi Fan,
 
 Maybe htis link will help:
 
 
Cheers,
 
Adam
 
On Sat, Jun 20, 2009 at 7:56 AM, jinhong zhang <zhangjinhong2009@gmail.com> wrote:
Hi all,
I am a new of ABINIT, Now I am learning the part of calculation of phonon and meet some problems.
 
I followed the  tutorial RF1 and it says that i can get the phonon frequencies and eigenvectors at Gamma. Finished the whole lesson (I am not sure if i fully understood) and checked the out file, I found it is easy to get the frequencies but not the eigenvectors, which I suppose it means the displacement of each atoms in each frequencies.
 
Please help me to explain and find the eigenvectors,
Thanx all.
 
Fan





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