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Wien2k download 2026

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The document is a user guide for the Tetra-elastic package, which calculates elastic tensors of tetragonal phases using the Wien2k software. It details the methodology for determining elastic constants through second-order derivatives of energy with respect to strain, outlines the necessary input and output files, and provides step-by-step instructions for installation and usage. The guide also includes acknowledgments, references, and specific examples of calculations for the α-Pt2Si compound.

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Click ‘Get Form’ to open the wien2k download document in the editor.
Begin by reviewing the introduction section, which outlines the purpose of the Tetra-elastic package for calculating elastic constants. Familiarize yourself with the mandatory conditions and acknowledgments.
Navigate to the 'File structure and program flow' section. Here, you will find a detailed description of input and output files necessary for running calculations. Ensure you understand each file's role.
Fill out any required fields in your struct file as indicated in the document. This includes specifying strain types and values necessary for your calculations.
Once all fields are completed, save your changes. You can then proceed to run commands as outlined in the 'Elastic constants calculation' section.

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How to download WIEN2k?

How to and configure Wien2k in Ubuntu sudo apt-get csh. sudo apt-get build-essentialsudo apt-get liblapack-dev. tar -xvf WIEN2k09.tar (skip this if you downloaded files separately) gunzip *.gz. ./userconfiglapw. source ~/.bashrc. w2web -p 7890 ## or port of choice.

Is WIEN2k free?

WIEN2k is not a free software, but available for a small (one-time) licence fee. It can only be ordered online by filling out the registration form below.

What is the WIEN2k code?

The WIEN2k code is one of the most accurate density functional theory (DFT) codes for solids and can be applied to all elements of the periodic table; it is currently the most popular all-electron DFT code for solids.