Investigation of the influence of the electronic structure and crystal structure on the effect of convergence of energy bands.

Published: 19 February 2018| Version 1 | DOI: 10.17632/psgzt9zp4h.1
Vladislav Pelenitsyn


The raw data contains input parameters for calculating the band structure using the VASP package and input parameters for calculating the transport properties using the BoltzTraP code. The processed data include the results of calculating transport properties by the BoltzTraP code.