Spin spiral calculation and periodic boundary condition

Questions of type "How do I calculate xxx ?"
(Open discussion, limited support from the helpdesk.)

Moderators: Moderator, Global Moderator

Spin spiral calculation and periodic boundary condition

Postby 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.
Posts: 1
Joined: Thu Jul 12, 2018 9:10 pm

Return to Physics questions

Who is online

Users browsing this forum: No registered users and 0 guests