[QE-users] Quantum Espresso results visualization

Sydney Liu danosunny at gmail.com
Wed Apr 22 06:52:27 CEST 2020


Hi
To my knowledge
The format of the output file from BURAI is .opt
It is somehow different from the QE output (.out)
However , I use Jmol to open the .opt file to visualize the result.
Just for your reference.

Aldimar Rodrigues <aldimar.deus at gmail.com>於 2020年4月22日 週三,上午5:23寫道:

> For some reason xcrysden is also not opening the QE .out files.
>
>
> Em ter., 21 de abr. de 2020 às 15:22, Tone Kokalj <tone.kokalj at ijs.si>
> escreveu:
>
>>
>> One option is http://www.xcrysden.org/
>>
>> As a courtesy to all of us, please sign your post next time.
>>
>> Best regards,
>> Tone Kokalj
>> --
>> Jožef Stefan Institute, Jamova 39
>> <https://www.google.com/maps/search/Jamova+39?entry=gmail&source=g>,
>> 1000 Ljubljana, Slovenia
>> (tel: +386-1-477-3523 // fax: +386-1-251-9385)
>>
>> On 2020-04-21 19:32, Aldimar Rodrigues wrote:
>> > hello, I'm looking for a modeling software that allows me to visualize
>> > the results of Quantum Espresso calculations (open your output files).
>> > I'm using Burai, but for some reason it doesn't open the QE output
>> > files and it's also not possible to perform the calculations directly
>> > from it.
>> > I also tried P4VASP, but it did not open the QE files.
>> > Could someone please tell me other package options for viewing Quantum
>> > Espresso results?
>> > _______________________________________________
>> > Quantum ESPRESSO is supported by MaX
>> > (www.max-centre.eu/quantum-espresso)
>> > users mailing list users at lists.quantum-espresso.org
>> > https://lists.quantum-espresso.org/mailman/listinfo/users
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

-- 
TOK TAIWAN CO.,LTD
Sydney Liu
E-mail : danosunny at gmail.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200422/2e2d4dba/attachment.html>


More information about the users mailing list