Dear Pietro, Hi.
Thank you so much. Best regards, Mahmoud From: Pietro Davide Delugas <[email protected]> To: [email protected] 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: [email protected] Phone: +98 (0)21 82066504 -------------------------------------------------------- _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
