[Pw_forum] Documentation on Pseudopotentials

Arles V. Gil Rebaza arvifis at gmail.com
Sat Jul 15 19:26:16 CEST 2017


Dear Robert, take a look at this page, it could help you!

http://theossrv1.epfl.ch/Main/Pseudopotentials

Best

Dr. Arles V. Gil Rebaza
IFLP - Argentina


2017-07-15 12:59 GMT-03:00 Robert Molt <r.molt.chemical.physics at gmail.com>:

> Good evening,
>
> I was hoping to be given a reference to understand the differences in the
> QE pseudopotential names; I do not understand how to correlate differences
> in the names with different papers from which they originate. For example,
> on the page
>
> http://www.quantum-espresso.org/pseudo-search-results/?el_
> id=1&unp_id=8&fun_id=12&colum_k&origin_id
>
> there are 3 listed pseudopotentials relative to the restrictions I gave.
> However, I do not know how to look up the differences between
> H.pbe-kjpaw.UPF
> <http://www.quantum-espresso.org/wp-content/uploads/upf_files/H.pbe-kjpaw.UPF>
> and H.pbe-kjpaw_psl.0.1.UPF
> <http://www.quantum-espresso.org/wp-content/uploads/upf_files/H.pbe-kjpaw_psl.0.1.UPF>
> to understand what I am using.
>
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>



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###--------->   Arles V.   <---------###
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