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Author Topic: How to calculate electron mobility  (Read 4959 times)

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Offline adul

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How to calculate electron mobility
« on: May 4, 2016, 15:01 »
Dear Users
I am using CASTEP or VASP .I have output file of bandstructure in csv or excel format.I wants to calculate the effective mass and electron mobility.Please suggest the way.I am using VNL -2015version.
Thanks in advance
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Offline Petr Khomyakov

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Re: How to calculate electron mobility
« Reply #1 on: May 5, 2016, 12:50 »
Take a look at these two tutorials for how to analyze the VASP calculated band structure and calculate an electron effective mass in VNL, http://quantumwise.com/publications/tutorials/item/523-set-up-and-analyze-vasp-calculations-with-vnl and http://docs.quantumwise.com/tutorials/effective_mass.html?highlight=effective%20mass.

Regarding mobility, I guess knowing just the band structure is not sufficient for calculating electron mobility.
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