[ase-users] ABINIT with PAW-XML pseudo potential files

[farhi]

 Hello,

Does any body have experience when using ASE/calculator/abinit and the
PAW-XML pseudo potential files from e.g. JTH
<http://www.abinit.org/downloads/PAW2>.

It seems the ASE abinit.py can not find them as the 'xml' naming
convention is different from e.g. .fhi, .hgh, and .paw old abinit-style
files.

The change in the abinit.py file seems simple, around lines 370-398.
<https://gitlab.com/ase/ase/blob/master/ase/calculators/abinit.py>

Emmanuel.

-- 
FARHI Emmanuel <farhi at ill.fr>
Groupe DS/CS, ILL4/156, Tel (33) 4 76 20 71 35
ILL, Grenoble
 
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