Hi,
I have a question about magnetic moments on the
individual atoms. How can I extract these from the output
files?
Thanks for answer
local magnetic moments
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mirecek
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local magnetic moments
Last edited by mirecek on Wed Apr 27, 2005 11:01 am, edited 1 time in total.
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admin
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local magnetic moments
They are written in OUTCAR if LORBIT is set appropriately
Last edited by admin on Wed Apr 27, 2005 1:51 pm, edited 1 time in total.
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fcossu
local magnetic moments
What about the version 5.2?
It doesn't work in the same way: i set LORBIT = 11 and i get 0 for every atom. And the magnetization is not null.
It doesn't work in the same way: i set LORBIT = 11 and i get 0 for every atom. And the magnetization is not null.
Last edited by fcossu on Tue Feb 01, 2011 7:11 am, edited 1 time in total.
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fcossu
local magnetic moments
Hi all!
I performed some test calculations in order to see whether the reason I wasn't getting the correct result is system dependent, compiler dependent, or whatever, but i'm still getting zero's in every test, despite the total magnetization is not. Could anyone give me a hint?
I performed some test calculations in order to see whether the reason I wasn't getting the correct result is system dependent, compiler dependent, or whatever, but i'm still getting zero's in every test, despite the total magnetization is not. Could anyone give me a hint?
Last edited by fcossu on Mon Feb 21, 2011 7:54 am, edited 1 time in total.