The Easy Installation and Execution of the code Elastic1.0

Download the full version of the code Elastic1.0 from the link below: 4shared :  Elastic1.0 Google.drive :  https://drive.google.…

The GitHub site

Learn Git and GitHub without any code! Using the Hello World guide, you’ll create a repository, start a branch, write comments, and open a pull …

How to plot Structure Band using origin

How to calculate the U parameter in Nickel Oxide NiO

To calculate the U parameter for the example of NiO according to the article of Georg K. H. Madsen and Pavel Nov ́ak ( Constraint U ), there a…

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…

How to install the version 2014 of Wien2k code

First :  Install parallel_studio    (that includes ifort and icc compilers and mpi library) as follows: - Create a new folder (for example: so…

Doing calculations of some exercises from WIEN2k_lecture-notes_2013

To download the file click on the link below: http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/Exercises_13.pdf Exercise…

FULL-POTENTIAL, LINEARIZED AUGMENTED PLANE WAVE PROGRAMS FOR CRYSTALLINE SYSTEMS

P. BLAHA , K. SCHWARZ , and P. SORANTIN  Institut für Technische Elektroche,nie, Technische Universität Wien, A-1060 WIEN, Austria  and    …

The simulation of the paramagnetic state (according to P Blaha reply )

[Wien] please help Peter Blaha   Wed, 17 Sep 2008 10:46:52 +0200 As I said in my previous mail: A paramagnetic state of a 4f compound do…

gibbs calculation (from wien mailing list)

[Wien] gibbs calculation MAHDI SALMANI HIRMAND   Tue, 20 May 2014 00:46:32 -0700 Dear WIEN2k users, Is there a program for finding gibbs valu…

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…

[Wien] How to get lattice parameter as a function of pressure?

[Wien] How to get lattice parameter as a function of pressure? Wangwei Lan   Fri, 27 May 2016 08:13:15 -0700 Dear WIEN2K user, Can you tell …