I'm relatively new to using vasp and have a question about determining which K points to follow to determine the band structure. The problem is that my system (~200 atoms) has been fully optimized both ions and cell. The system is basically hexagonal but not prefect since the cell has been optimized. Therefore, should I follow the standard/exact hexagonal K points for gamma - M ? A ? H ? L? Or should I somehow calculate them for my system?
Thanks for any help
K Lines
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Re: K Lines
Hi,
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