Mp-571183 TmFe2 DOS & Band Strucutre


#1

Dear Experts

I would like to ask a very simple questions regarding mp-571183 TmFe2

My questions are 1- The Final Magnetic Moment 6.244 μB is this result per formula unit or not

2- I would like to ask if there are available results for DOS & Band structure for this computed TmFe2

Thank You


#2

To answer your first question, the total magnetisation is per unit cell, so it is not necessarily normalized per formula unit at present. We may change this to be per formula unit in future, but will communicate this change clearly if so.


#3

Hello mkhorton

Thank you v. much for your quick answer for my first question (Means I have to divide by 2 to be per formula unit)

hope to receive an answer for my second one

Thank you


#4

If you look at the bottom of a materials detail page, you can see what calculations have been performed.

You can see on the mp-571183 detail page that only a Structure Optimization calculation has been performed. You can also search for materials with bandstructures and DOS by using the “Has properties” in the side bar:
06%20AM


#5

Thank you

This is clear Now

Regards,