[QE-users] Quantum Espresso results visualization

Offermans Willem willem.offermans at vito.be
Wed Apr 22 09:57:28 CEST 2020


Dear Quantum Espresso friends and Aldimar Rodrigues,

There are many ways to do this.
One possible way is to use the ASE package (https://wiki.fysik.dtu.dk/ase/).
You can use it to convert the QE output file to different formats,
but you can also use the graphical user interface to view your QE results.

It is python based and gives you plenty possibility to use the code to your needs.


Met vriendelijke groeten,
Mit freundlichen Grüßen,
With kind regards,


Willem Offermans
Researcher Electrocatalysis SCT
VITO NV | Boeretang 200 | 2400 Mol
Phone:+32(0)14335263 Mobile:+32(0)492182073

Willem.Offermans at Vito.be<mailto:Willem.Offermans at Vito.be>

[cid:982BA063-B96A-4A1B-89AB-5A01CA9FC70D at vito.local]

On 21 Apr 2020, at 19:32, Aldimar Rodrigues <aldimar.deus at gmail.com<mailto:aldimar.deus at gmail.com>> 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?

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