[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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