Convergence and pitfalls of density functional perturbation theory phonons calculations from a high-throughput perspective

Petretto, Guido / Gonze, Xavier / Hautier, Geoffroy et al. | British Library Online Contents | 2018

A high-throughput infrastructure for density functional theory calculations

Jain, A. / Hautier, G. / Moore, C. J. et al. | British Library Online Contents | 2011

Density functional perturbation theory calculations of vibrational and thermodynamic properties of Zn1−xBexO alloys

Lakel, Said / Elhamra, Fatima / Almi, K. et al. | British Library Online Contents | 2015

Density functional perturbation theory calculations of vibrational and thermodynamic properties of Zn1−xBexO alloys

Lakel, Said / Elhamra, Fatima / Almi, K. et al. | British Library Online Contents | 2015

Density functional perturbation theory calculations of vibrational and thermodynamic properties of Zn1−xBexO alloys

Lakel, Said / Elhamra, Fatima / Almi, K. et al. | British Library Online Contents | 2015