What are the various methods to prepare the nanoparticles for TEM test?

14 May 2017 3,637 7 View

Why SDS GEL ELE does heat?

05 April 2016 9,481 5 View

No title

25 February 2021 5,713 1 View

What is the appropriate k points number for band structure calculation ?

Hi everybody, I am a new user wien2k 14. I am trying to optimize the electronic structure of ternary alloy (with 8 atom in the unit cell) but I am not sure about the good k points number. Thank you.

14 December 2020 7,719 8 View

Physical significance of Gap between optical and acosutic branches in Phonon Dispersion?

Hello Everyone, Recently I am doing some Phonon branchesbased studies. For some materials the gap between the optical and acoustic branch is small, for some it's large and for some there is no...

04 November 2020 3,987 2 View

Did anyone tried Wien2k 19.2? I observed that it is less stable than 18.2?

When I used it to caculate the formation energy of a compound. It gives errors when trying to calculate the energy of a free atom. While using the same struct file in 18.2 no errors appear.

16 August 2020 1,384 6 View

How can i calculate the effective mass of electron and hole for perovskite materials from Wien2k calculations (DFT) ?

I have generated the band structure of my material using Wien2k software , Please could you explain me how we can calculate the effective mass of electron and hole for perovskite materials...

01 June 2020 604 6 View

How to run DFT-1/2 by wien2k?

26 March 2020 4,994 3 View

How to perform antiferromagnetic DFT calculations?

There are three types of antiferromagnetism, namely A , C and G type. I want to perform DFT calculations with these types of antiferromagnetism using either Quantum Espresso or Wien2K codes in...

24 October 2019 7,175 3 View

How to Run Boltztrap In parallel?

Hello, Is anyone using Boltztrap in parallel. because by default it runs only using single cores. So is anyone running it using mpirun or any other parallel enviroment. If yes then please...

08 September 2019 4,127 2 View

From Where I can get the Wien2k Setup file(latest version) and How?

Need Wien2k setup.

03 April 2019 3,493 1 View

Is there any online service that perform calculation using Wien2k?

Wien2k server for calculation

06 March 2019 7,153 2 View