QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: byronvoyle on November 11, 2024, 03:34

Title: Resistivity of Iron in Quantum ATK
Post by: byronvoyle on November 11, 2024, 03:34

Hello, Can anyone suggest me what parameters are needed in ATK to calculate the resistivity of Iron using Boltzmann transport equation? Specifically, factors such as crystal structure, calculation method, k-point lattice, wavelength cutoff, and boundary conditions.

Thanks.