Presentation of ElATools A tool for analyzing anisotropic elastic properties of the 2D and 3D materials

ElATools A tool for analyzing anisotropic elastic properties of the 2D and 3D materials Google group: https://groups.google.…

Boltzman Transport Properties with Boltztrap

An overview of the DMFT method as implemented within eDMFT code interfaced with wien2k code

The DMFT method is used to calculate the physical properties for the correlated systems. DMFT was originally developed [ 2 ] in the context of th…

The Woptic Package

//====================\\ || || || The Woptic Package || …

The Wien2Wannier Package (Interface between wien2k and Wannier90)

INTRODUCTION To learn more about wannier functions click on the following link: https://en.wikipedia.org/wiki/Wannier_function You can chec…

LDA + Gutzwiller-Slave-Boson within Wien2k code

Overview of CyGutz with WIEN2k and model interfaces DFT-LDA The Density Functional Theory implementation within WIEN2k consists of several ste…

XCrySDen as a graphical tool for WIEN

XCrySDen interface for WIEN XCrySDen program can be used as a graphical tool for WIEN2k , a FP-(L)APW program package. The following graphical …

BoltzTraP. A code for calculating band-structure dependent quantities.

Abstract: A program for calculating the semi-classic transport coefficients is described. It is based on a smoothed Fourier interpolation of th…

Runwien: a text-based interface for the WIEN package ✩

A. Otero de la Roza ∗, Víctor Luaña  Departamento de Química Física y Analítica, Facultad de Química, Universidad de Oviedo, 33006 Oviedo, Spa…

Orbital construction and conversion for DMFT method

The first step for a DMFT calculation is to provide the necessary input based on a DFT calculation. We will not review how to do the DFT calculatio…