[Wien] phonon calculation

Peter Blaha pblaha at theochem.tuwien.ac.at
Sun Apr 5 13:05:12 CEST 2020


I cannot help you with the installation of phonopy. This is not WIEN2k 
expertise.

About the usage: Please checkout the phonon tutorial in the exercises on 
our last workshop at www.wien2k.at

Am 03.04.2020 um 23:22 schrieb Mesut KESEK:
> Dear Sir
> 
> I am running Wien2k version 18.2 on a machine of intercore i7-6700HQ 
> 2.60Hhz <mailto:i7-6700HQ at 2.60Hhz> 8gb RAM  4 core 64 bit ,Virtualbox 6 
> ,Linux ubuntu 20.4
> 
> The purpose of my calculation is to get phonon calculation of NaBr and NaI.
> 
> I couldn’t install Phonopy program I don’t know how to do it. There are 
> some videos on internet but I have done step by step but I couldn’t.
> 
> Could you help me how to install Phonopy program step by step, and sent 
> me the files needed to install this program.And also after installation 
> the phonopy program, what I am going to do to calculate phonon 
> calculation in wien2k. Could you inform me step by step what I am going 
> to do.
> 
> Thank you so much.
> 
> Best wishes
> 
> Mesut KESEK
> 
> My registration-ID: WIEN2k-3232
> 
> Windows 10 için Posta <https://go.microsoft.com/fwlink/?LinkId=550986> 
> ile gönderildi
> 
> 
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671


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