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"<[email protected]>;
Date: Thu, Sep 6, 2018 07:32 PM
To: "Quantum Espresso users Forum"<[email protected]>;
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
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