[QE-users] atomic code Ver 6.2.2

[Pietro Davide Delugas]

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 
> <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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