QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Inaoton on August 6, 2018, 09:02

Title: Mobility
Post by: Inaoton on August 6, 2018, 09:02

hello  :)
                   In the tutorial given for mobility calculation  mentioned in https://docs.quantumwise.com/tutorials/mobility/mobility.html#a-electron-mobility-k-q-dependent-method , other than mobility,  there is no information given for setting the parameters of other analysis blocks in section 3A. Electron mobility: (k,q)-dependent method. What parameters should we use for Dynamical Matrix, Hamiltonian Derivatives and Electron Phonon Coupling?

Title: Re: Mobility
Post by: Inaoton on August 16, 2018, 12:51

Could you please reply  ;)

Title: Re: Mobility
Post by: Petr Khomyakov on August 16, 2018, 14:36

Dynamical Matrix, Hamiltonian Derivatives and Electron Phonon Coupling are calculated in step 1 and 2A, so that you do not need to redo the calculations in step 3A, and just use Analysis-from-file object in the Scripter.  This part is missing in the tutorial, and we will update it asap. Thank you for spotting this bug.

Title: Re: Mobility
Post by: Inaoton on August 16, 2018, 15:07

Thank You Petr   :)