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abinit / pseudo_dojo

Python framework for generating and validating pseudo potentials
http://www.pseudo-dojo.org/
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LDA pseudo for oxygen missing on website #112

Open fgoudreault opened 5 years ago

fgoudreault commented 5 years ago

Dear pseudo-dojo developers,

I noticed that for oxygen, the pseudo for LDA is missing on the website. Although, I found it in the GitHub repo here: https://github.com/abinit/pseudo_dojo/tree/master/pseudo_dojo/pseudos/ONCVPSP-PW-PDv0.4/O

Is there a reason why it is not on the website?

Many thanks

setten commented 5 years ago

Dear Felix,

sorry for the delay, the email got stuck on in the outbox...

This seems to be an missing update on the website, O and a few other elements were the last to finish in LDA. Please feel free to use the ones you found on git. I’ll arrange an update on the site soon.

best, Michiel Michiel van Setten mjvansetten@gmail.com

Op wo 12 dec. 2018 om 19:12 schreef Félix Antoine Goudreault < notifications@github.com>:

Dear pseudo-dojo developers,

I noticed that for oxygen, the pseudo for LDA is missing on the website. Although, I found it in the GitHub repo here: https://github.com/abinit/pseudo_dojo/tree/master/pseudo_dojo/pseudos/ONCVPSP-PW-PDv0.4/O

Is there a reason why it is not on the website?

Many thanks

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johannesflick commented 5 years ago

Dear Michiel, In the repository, I was only finding the psp8 version of the oxgen lda pseudopotential. Unfortunately, I was not able to convert it to the upf format. Is there an easy way to do that? Thank you so much! Best wishes, Johannes