I am planning to perform an effective mass calculation for a magnetic material. During my research, I discovered VASPKIT, and after reviewing the documentation, I noticed that it is primarily designed for non-magnetic materials. I have mainly 2 questions.
- Will VASPKIT be able to yield reliable results for a magnetic material?
- Alternatively, are there other software tools or methods specifically suited for calculating the effective mass of magnetic materials?
Thanks in advance.
Omar Rojas
Yes, you can perform effective mass calculations for a magnetic material using VASPKIT. VASPKIT is a powerful pre- and post-processing tool for VASP (Vienna Ab initio Simulation Package), and it includes functionalities for calculating the effective mass of charge carriers (electrons and holes) based on the electronic band structure obtained from VASP calculations.
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