Hello. In PWscf there is feature "starting_charge(i)" (-starting charge on atomic type 'i'). How I can manage this parameter? What units has it got?
-- Best regards, Dr. Andrey Chibisov, Ph.D. Senior Researcher, Laboratory of Numerical Methods in Mathematical Physics, Computational Centre of the Russian Academy of Sciences. Khabarovsk, Russia Web page: https://www.researchgate.net/profile/A_Chibisov https://www.linkedin.com/in/andrey-chibisov-98625355/ _______________________________________________ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
