Noncollinear magnetic calculation Supercell and Original cell

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leostorm10
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Noncollinear magnetic calculation Supercell and Original cell

#1 Post by leostorm10 » Thu Sep 01, 2011 8:07 am

Dear VASP users, I have done a non-collinear magnetic structure calculation on the original cell and again on the Supercell of the compound. After calculation the density of states for the supercell is found to be few times larger than the DOS of original cell that is expected. But when I compare the magnetic structure that is not matching for original cell and supercell. The initial moments were same for both the original cel and the supercell. The magnitude of moments of the atoms are even same for both the original cell and supercell, but the direction of moments has been changed drastically for the original cell and supercell. Could anyone please tell me what may be the reason and how to solve. Thanks in advance.
Last edited by leostorm10 on Thu Sep 01, 2011 8:07 am, edited 1 time in total.

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Re: Noncollinear magnetic calculation Supercell and Original cell

#2 Post by support_vasp » Thu Sep 12, 2024 8:53 am

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

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