[QE-users] R: Quantume Espresso 6.1, 6.4.1, 6.5
Pietro Davide Delugas
pdelugas at sissa.it
Thu Jan 26 14:25:44 CET 2023
Dear Krishendu,
I would expect so.
There may be very few cases where bugs or regressions affect the results. You can have a look at the
Doc/release-notes file to check if the changes and issues for the versions you are interested in involve your calculations.
Pietro
________________________________
Da: users <users-bounces at lists.quantum-espresso.org> per conto di KRISHNENDU MUKHERJEE <krishnendu at nmlindia.org>
Inviato: giovedì 26 gennaio 2023 12:26
A: users <users at lists.quantum-espresso.org>
Oggetto: [QE-users] Quantume Espresso 6.1, 6.4.1, 6.5
Dear Community,
For some reason I have to use QE 6.1 now. But I have done some calculations before, for my materials system using QE 6.4.1 and QE 6.5. Will the simulations done using QE 6.1 comparable with my previous simulations done using QE 6.4.1 and QE 6.5 ?
Regards,
Krishnendu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230126/dfdd970b/attachment.html>
More information about the users
mailing list