[QE-users] Addition of an electron.

[jibiaoli]

Hi all
I want to know the answer too. How should I study ions with controlled charges?


Best
Jibiao Li
Yangtze Normal University, China




------------------ Original ------------------
From:  "Andrey Chibisov"<andreichibisov at yandex.ru>;
Date:  Thu, Sep 6, 2018 07:32 PM
To:  "Quantum Espresso users Forum"<users at lists.quantum-espresso.org>;

Subject:  [QE-users] Addition of an electron.




Dear users,
Can I add or remove an electron on a particular atom, not to the whole system (as with tot_charge parameter)? 
How does the starting_charge(i) parameter work?

-- 
Best regards,
Dr. Andrey Chibisov, Ph.D.
Senior Researcher,
Computational Centre

_______________________________________________
users mailing list
users at lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180906/7e179d02/attachment.html>