[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
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