[Pw_forum] Documentation on Pseudopotentials

Robert Molt r.molt.chemical.physics at gmail.com
Sat Jul 15 17:59:19 CEST 2017


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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