wien2k calculation of solid
, I hope this email finds you well. I am a researcher who is currently using Wien2k for electronic structure calculations, and I have encountered an issue that I would like to ask for your help...
27 April 2023 7,281 0 View
To reduce the spread of COVID-19 infection in Jordanian society, the Ministry of Health (MOH) of Jordan has launched the AMAN app to minimize COVID-19 risk and helps keep the Jordanian community...
07 September 2020 3,552 6 View
how can i put gas inside the pores of silica porous nano-structure?
07 June 2017 7,751 3 View
I'm asking about the preparation methods of different samples for TEM microscopy procedure
14 May 2017 3,645 7 View
i am using the proper protocol for electrophoresis, but the glasses have been broken down and the buffer does heat. I reduced the V, however, it still heats.
05 April 2016 9,494 5 View
why the wien2k code does not give the same results of calculating elastic properties when I repeat the same calculation?
29 June 2024 6,294 2 View
Hi to all I need a help in explaining how I can calculate the formation energy for a half Heusler compound using WIEN2k code
11 June 2024 964 4 View
Hello dear researchers, I hope you are doing well. I want to ask you a question. I have a unit cell with 24 atoms (4 A, 4 B and 16 X) and I want to substitute X atom by another atom (for example...
28 May 2024 5,571 5 View
As in the WIEN2K's SRC repository case.klist_band is available for hcp and fcc structures, Could you please guide me on obtaining klist for Triclinic and Monoclinic structures?
29 April 2024 9,306 0 View
I am working on ferrites materials. I could see gap, but the problem is that the conduction band minimum crossed the Fermi Level.
28 April 2024 5,199 5 View
Hi all, What are the steps to optimizing a tetragonal structure using Wien2k code?
30 March 2024 9,205 0 View
When I saved a CIF file from Vesta, it was not supported in Wien2k. Please, can someone help me?
12 February 2024 5,652 1 View
Hi How i can do the Nudged Elastic Band (NEB) calculation in WIEN2k ?
16 January 2024 1,360 0 View
My Xcrysden crashed and I was searching for the solutions. Finally, after several attempts I reached a solution of the same. Follow these steps if your xcrysden crashes with the error "(file...
11 January 2024 3,375 3 View
i'm using wien2k code to calculate charge density diffrence .....how i can do that ......i need all steps that i have to do it ......thank you
18 December 2023 3,901 2 View
