Spin spiral calculation and periodic boundary condition
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Spin spiral calculation and periodic boundary condition
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.
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.
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- Global Moderator
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Re: Spin spiral calculation and periodic boundary condition
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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VASP