effective mass calculation using band structure

Vasp transition state theory tools

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mbhatt541
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Joined: Thu Mar 23, 2017 5:20 am

effective mass calculation using band structure

Post by mbhatt541 »

Hello Prof. Henkelman,

Thank you very much for your kind support.

Could you please help me to give some idea to calculate the effective masses of holes and electrons from band structures of BiVO4 (001) and BiVO4 (110) surfaces? Do we have any script to calculate the effective mass in VTSTTools? Could you please suggest any other software?

Sincerely
Mahesh Bhatt
SKKU, Korea
graeme
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Re: effective mass calculation using band structure

Post by graeme »

No, we do not have any tools to help with curvatures of the electronic bands.
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