Validation of Pseudopotential Calculations for the Electronic Band Gap of Solids

por Borlido, Pedro, Doumont, Jan, Tran, Fabien, Marques, Miguel A. L., Botti, Silvana
Publicado 2020

Efficient Band Structure Calculation of Two-Dimensional Materials from Semilocal Density Functionals

por Patra, Abhilash, Jana, Subrata, Samal, Prasanjit, Tran, Fabien, Kalantari, Leila, Doumont, Jan, Blaha, Peter
Publicado 2021