[Pw_forum] Different mesh for pseudopotential

Mahmoud Payami mpayami at aeoi.org.ir
Sat Nov 12 10:48:25 CET 2011


Dear QE users,

I am trying to test a given pseudopotential, which is generated by 
Vanderbilt's code, using the atomic code (ld1.x). I encounter the message:
------
%%%%%%%%%%%%%%%%%%%%
from read_pseudoup  :  error  #1
mesh not supported
%%%%%%%%%%%%%%%%%%

Googling, I found a post by Stefano 
(http://www.democritos.it/pipermail/pw_forum/2010-November.txt) explaining 
how the former code uses the "xmin" point as r=0. It was suggested to use 
the "virtual.x" to make an interpolation.
Is there an easy way in the upf tools?
Besr regards,
                       mahmoud

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Mahmoud Payami
Physics Group, AEOI, Tehran, Iran
Email : mpayami at aeoi.org.ir
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