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Calculating the effective mass

Posted: Tue Nov 22, 2016 7:29 am
by hat343
Dear all,

Can someone let me know what is the correct procedure of calculating the effective mass using the band structure? To be specific once I obtain the band structure, how do I determine the range of data points that I want to fit my parabola into? Also suppose that the points where not exactly symmetric about the high symmetry point, i.e. the assumed parabola is not symmetric, how can the fitting be done? For example for L-G-X do I just consider the L-G branch and the G-X branches separately and do a fit by assuming the shape will be a perfect parabola about G?

Thanks...

Re: Calculating the effective mass

Posted: Thu Sep 12, 2024 6:53 am
by support_vasp

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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