QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: adul on May 4, 2016, 15:01

Title: How to calculate electron mobility
Post by: adul 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

Title: Re: How to calculate electron mobility
Post by: Petr Khomyakov 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.