Phonon calculations

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Phonon calculations

Postby saikrishna » Wed Jul 24, 2019 5:27 pm

Hello
I am doing tutorials trf1_3.in and I am stuck in the place where they calculate the dynamical matrices for phonons. Can someone help me out with that?

Thank you in advance.
saikrishna
 
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Re: Phonon calculations

Postby ebousquet » Thu Jul 25, 2019 11:12 am

Dear saikrishna,
What do you mean by "stuck", I mean what is blocking you exactly?
Cheers,
Eric
ebousquet
 
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Location: University of Liege, Belgium

Re: Phonon calculations

Postby saikrishna » Tue Aug 13, 2019 5:24 pm

Hey Eric
I found the answer for my previous question but I have a doubt on what is a q point in brillouin zone?

Thanks in advance
Sai krishna.
saikrishna
 
Posts: 8
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Re: Phonon calculations

Postby saikrishna » Thu Aug 22, 2019 12:10 pm

Hey
I have a doubt here in executing the file which I wrote. Please tell me my mistake and the correct me asap.
PFA.
Thanks in advance
Sai krishna
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phonon3.in
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saikrishna
 
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Re: Phonon calculations

Postby saikrishna » Mon Sep 02, 2019 3:25 pm

Hey everybody,
I am running phonon calculations for a material for which I obtained negative frequencies. May I know what does it mean or is it something wrong in the code which is responsible?

Thanks in advance
Sai krishna N.
saikrishna
 
Posts: 8
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