Spin spiral calculation and periodic boundary condition

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Locked
Message
Author
wenteli
Newbie
Newbie
Posts: 1
Joined: Thu Jul 12, 2018 9:10 pm

Spin spiral calculation and periodic boundary condition

#1 Post by wenteli » Wed Jun 26, 2019 11:14 pm

Dear vasp community,

I am using VASP to do noncollinear spin spiral calculation. I am reading the documentation on the vasp wiki website: https://cms.mpi.univie.ac.at/wiki/index ... in_spirals. In the “Initialization of the magnetic subsystem” section, vasp gives two examples of initial magnetic moment. For the second example, I am confused whether it breaks the periodic boundary condition. You have three cells and the rotation angle is based on q spiral vector. In the POSCAR file, should I only include Cell 1 or both Cell 1&2? If it is the former, then it breaks the periodic boundary condition because Cell 2 spin is different with Cell 1. I am not sure whether my understanding is correct or not and am willing to hear from you.

Thank you all so much for your help.
You do not have the required permissions to view the files attached to this post.

support_vasp
Global Moderator
Global Moderator
Posts: 1817
Joined: Mon Nov 18, 2019 11:00 am

Re: Spin spiral calculation and periodic boundary condition

#2 Post by support_vasp » Wed Sep 11, 2024 3:11 pm

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.

Best wishes,

VASP


Locked