Hi,
If you are considering the ground-state of FeO which is antiferromagnetic
(AFII) you need a unit cell which contains two formula units.
I attached such a struct file. It would be good to try to understand it.
F. Tran
On Thu, 8 Aug 2013, Antonio Vanderlei dos Santos - Fisica wrote:
dear u
dear users
I'm working with the oxide FeO. Could someone tell me the
unitary cell of this compound.
Dr Antonio
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Dear Peter?
I want calculate the EELS of FeO and Fe2O3, after I search in the list,
I know I should edit the FeO.damtdn to get a gap in FeO, but I didn't know how
to change the occpied:
FeO.damtdn:
"1 atom density matrix
2 0.00
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