[Pw_forum] co-ordination no in quantum espresso,

[PRATIK DAS]

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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