Dear QE users, I have two query about quantum espresso. 1. Can i use Fe+2 and Fe+3 in a simulation.? Is there any way to do this..? 2. How to attribute co-ordination number to a atom in atomic position or I have use some another tag?
Thanks in advance. Pratik Kr. Das Junior Research Fellow Dept. of Geological Sciences Jadavpur University Kolkata 700032
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