Is WIEN2k open source?

It is known or said to be one of the most accurate methods for modeling solids. Wien2K is very nice, but it is not free. Do you know of any open-source & community LAPW codes alternative to Wien2K?

How do I download from WIEN2k?

How to install WIEN2k in Ubuntu 10.04

sudo apt-get install csh.
tar -xvf WIEN2k_09.tar (skip this if you downloaded files separately)
./userconfig_lapw.
source ~/.bashrc.
w2web -p 7890 ## or port of choice.
then go to http://localhost:7890/ in firefox or other browser.

What is WIEN2k code?

The WIEN2k package is a computer program written in Fortran which performs quantum mechanical calculations on periodic solids. It uses the full-potential (linearized) augmented plane-wave and local-orbitals [FP-(L)APW+lo] basis set to solve the Kohn–Sham equations of density functional theory.

What is full potential linearized augmented plane wave method?

The full-potential linearized augmented planewave (FLAPW) method has emerged as a widely used very robust and precise state-of-the-art ab initio electronic structure technique with rea- sonable computational efficiency to simulate the electronic properties of materials on the basis of density-functional theory (DFT).

Is CP2K free?

CP2K is a freely available (GPL) quantum chemistry and solid state physics program package, written in Fortran 2008, to perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.

How do you cite CP2K?

What is FP Lapw?

The full-potential linearized augmented-plane wave (FP-LAPW) method is well known to enable most accurate calculations of the electronic structure and magnetic properties of crystals and surfaces.

What is WIEN2k program?

WIEN2k. The WIEN2k package is a computer program written in Fortran which performs quantum mechanical calculations on periodic solids. It uses the full-potential (linearized) augmented plane-wave and local-orbitals [FP- (L)APW+lo] basis set to solve the Kohn–Sham equations of density functional theory .

What is the history of WIEN2k?

WIEN2k was originally developed by Peter Blaha and Karlheinz Schwarz from the Institute of Materials Chemistry of the Vienna University of Technology. The first public release of the code was done in 1990. Then, the next releases were WIEN93, WIEN97, and WIEN2k. WIEN2k uses density functional theory to calculate the electronic structure of a solid.

Can I compile from source with a WIEN2k license?

When you purchase a WIEN2k license you can install the compiled binaries or you can compile from source. The documentation says that the code will be better optimized by being compiled on your hardware.

Why can’t I use ELPA libraries with WIEN2k?

The optional ELPA libraries available in Debian (version 4 from 2016) are not compatible with WIEN2k and cannot be compiled against the newer version available in the experimental Debian distribution may work but requires installation of newer versions of other openmpi packages which might not be compatible with the buster/stable distribution.