QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: shivgy on June 19, 2014, 09:33

Title: Calculation of group velocity v_LA and v_TA from phonon band structure
Post by: shivgy on June 19, 2014, 09:33

How can we calculate group velocity for LA (Longitudianl Acoustic) and TA (Transverse Acoustic) branches from phonon band structure?

Title: Re: Calculation of group velocity v_LA and v_TA from phonon band structure
Post by: kstokbro on June 20, 2014, 15:44

We do not have any automatic method, you need to determine the slope of the bandstructure at the gamma point from which the velocity can be derived.