[Wien] phonon calculation

[Gavin Abo]

As I recall, the steps to install phonopy are at:

https://phonopy.github.io/phonopy/install.html

The steps to run a phonopy WIEN2k calculation are at:

https://phonopy.github.io/phonopy/wien2k.html#wien2k-interface

There are steps for older versions of phonopy in the mailing list 
archive that can perhaps be referenced as those instructions might not 
have to be change much:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14063.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13800.html

Also, as the WIEN2k updates page [ 
http://susi.theochem.tuwien.ac.at/reg_user/updates/ ] states: /Version 
19.1 is a major update/.  Thus, it is recommended to update from the 
WIEN2k 18.2 version you have to 19.1.  The WIEN2k 18.2 and 19.1 also 
have many bugs in common, but the fixes that can be found in the mailing 
list are only described and given for 19.1 (refer to mailing list links 
in the README list at [ 
https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1 ]).

On 4/3/2020 3:22 PM, Mesut KESEK wrote:
>
> 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
>
>
> Windows 10 için Posta <https://go.microsoft.com/fwlink/?LinkId=550986> 
> ile gönderildi
>
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