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 [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
