Boltzmann Transport Properties (BoltzTraP) is a program for calculating the semi-classic transport coefficients. The code uses a mesh of band energies and is interfaced to the WIEN2k, ABINIT, SIESTA, VASP and QuantumEspresso programs.
What is BoltzTraP2?
BoltzTraP2 is a software package for calculating a smoothed Fourier expression of periodic functions and the Onsager transport coefficients for extended systems using the linearized Boltzmann transport equation.
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.
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 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).
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