[QE-users] atomic code Ver 6.2.2

[Mahmoud Payami Shabestari]

Dear Pietro,

Hi.

Thank you so much.



Best regards,

Mahmoud











From: Pietro Davide Delugas <pdelugas at sissa.it>
To: users at lists.quantum-espresso.org
Date: Tue, 30 Nov 2021 12:42:33 +0100
Subject: Re: [QE-users] atomic code Ver 6.2.2




Dear Mahmoud


Unfortunately the 6.2.2 version of QE was not tagged ( we were in the 
transition between svn and git ), but there were no changes in atomic code 
between 6.2.1 and 6.2.2. Yonu may download that version here ( 
https://gitlab.com/QEF/q-e/-/releases/qe-6.2.1  ).
The use_xsd flag is uised to chose between the legacy UPF format and the new 
one that is compliant to XMLSchema descripion. The pseudos are completely 
equivalent for what concerns tha calculations.  Thanks for reporting about 
the missing documentation we will add it a.s.a.p.


best regards and greetings - pietro


On 11/24/21 10:09 AM, Mahmoud Payami Shabestari wrote:
Dear QE Developers and Users,
Hi.
I noticed most of pseudopotentials available in 
https://www.quantum-espresso.org/pseudopotentials
were generated by atomic code Version 6.2.2.
I would be grateful if a link is provided for its download (if public).
Also, a new logical variable "use_xsd" has been introduced in QE-6.3+, but 
not documented. By a quick search in source files it seems to be related to 
upf formats.
Thank you in advance.


Mahmoud Payami
NSTRI, AEOI, Tehran, Iran


Email: mpayami at aeoi.org.ir
Phone: +98 (0)21 82066504
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