[QE-users] Error in routine update_environ_charges

Mr. Sheharyar Pervez RA FES sheharyar at giki.edu.pk
Fri Jan 27 14:06:21 CET 2023


Does this help?
https://www.mail-archive.com/users@lists.quantum-espresso.org/msg34826.html
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of naval singh via users <users at lists.quantum-espresso.org>
Sent: Friday, January 27, 2023 5:26 PM
To: users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
Subject: [QE-users] Error in routine update_environ_charges

Dear users
 i am trying to compute solavtion energy for my system CO adsorbed on catalyst , i am using environ for this but the script crashes giving the error

Error in routine update_environ_charges (1):
     Inconsistent integral of total charge

Can you suggest something to fix this
i have searched everywhere but i cant find anything
Thanking You
Naval Kishor Singh


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230127/4124123e/attachment.html>


More information about the users mailing list