[Pw_forum] Error while using Mg PAW potential given on website

Jonathan Trinastic jptrinastic at phys.ufl.edu
Wed Mar 14 13:00:48 CET 2012


Dear All,

I'm wondering if anyone has had problems using the Mg PAW potential 
(Mg.pbe-nsp-bpaw.UPF) listed on the QE website?  When I use it, I 
receive the error

from read_ncpp: error # 1
Wrong nlc or nnl

I understand this has to do with the number of channels being read, 
however I'm in the process of learning how to generate potentials and 
don't yet know how to fix it.  In the meantime, does anyone know a quick 
fix for this potential.  Its formatting is a little different compared 
to other potentials in UPF format on the website.

Thanks much for your help,
Jonathan
<http://www.quantum-espresso.org/pseudo/1.3/UPF/Mg.pbe-nsp-bpaw.UPF>

-- 
Jonathan Trinastic, M.S.
Graduate Student
Department of Physics
University of Florida

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