Especially on Perovskites. I need help from anyone who is working on them.
Do you want somebody working on all of those pieces of software? It is not easier to select one and use and focus on question on how to use a single software? In my experience, even when comparison between codes are made, usually you try to bring together people with expertise in each code…
It would be helpful if you explained a bit more about what you are doing, and what your issues are. Are you studying inorganic (e.g. strontium titanate, STO) or organic perovskites (e.g. methylammonium lead iodide, MALI)? Which properties are you interested in?
Lots of us use and/or develop these software packages, but it sounds like what you actually would like help with is more related to the materials you're studying.
(Also, I suggest you remove the Discrete Fourier Transform tag from the question, it isn't really relevant.)
Philip James Hasnip Roberto D'Agosta Mohammad Ishfaq Gabriel Vinicius thank you all for your invaluable comments, I am working on inorganic metal halide perovskites, and my working material is Cs3Bi2Br9. while I am calculating energy bands and electronic calculations either the system gets stuck or gets error in k-points. I will send the CIF file and if it works at your end then there is a problem with my input and software. If you also get error then its the error of my CIF file.
Better you send your input files. And the error you get — by the way, which code are you using?
Considering that your input file has all the atomic positions, please send that with a better description of the error you got.
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