QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ams_nanolab2 on November 18, 2019, 17:26

Title: Crystallographic and effective mass directions
Post by: ams_nanolab2 on November 18, 2019, 17:26

Are the masses given by the effective mass analyzer aligned with the real space directions or they are with the k-space directions.

Title: Re: Crystallographic and effective mass directions
Post by: Petr Khomyakov on November 25, 2019, 13:35

In the effective mass analyzer, one can choose type of coordinate system between Cartesian and Fractional. Fractional means in the coordinate system formed by three reciprocal lattice vectors related to the direct space lattice vectors through textbook expressions. Both reciprocal and direct space vectors can be defined in Cartesian system of coordinates, meaning that any k-vector direction can be defined in Cartesian as well. So, both options are available in QuantumATK.