Dear Gavin/Maciej/All Thank you very much for the help and the suggestion.
I have now installed the 2014a version of MatLab (earlier I had a lower version), but still have the same problem with ubs_dots.m. However, the ubs.m file provided by Gavin worked absolutely well. I really don't understand why I am having the problem with the former! Certainly, I shall be waiting for Maciej's code. However, at this stage, I would like to know which file (apart from the .struct and .klist_band) from a previous SCF calculation I should import to the directory where I want to do the fold2Bloch? If I understand right, I need to provide a .unfolded file, and then fold2Bloch creates a .f2b file for the final plotting. But I don't find any .unfolded file in a Wien2K calculation! Best regards Sanjeev ---------------------------------------------------------------- Dr. Sanjeev Kumar Srivastava Associate Professor Department of Physics Indian Institute of Technology Kharagpur Kharagpur 721302 India Ph.: 0091-3222-283854 (Office) 0091-3222-283855 (Residence) Mobile: 0091-9735444091 ------------------------------------------------------------------ ----- Original Message ----- From: "Maciej Polak" <maciej.po...@pwr.edu.pl> To: "A Mailing list for WIEN2k users" <wien@zeus.theochem.tuwien.ac.at> Sent: Thursday, May 19, 2016 6:12:26 PM Subject: Re: [Wien] fold2Bloch installation problem. Dear Sanjeev, I looked through your ubs_dots.m file, and it looks fine. I never had any problems with it, and I run it on two different versions of matlab (2014a, 2012a (windows)). I copied your script and it works fine on both versions as well. I tried making some common mistakes that you could have made, but none gave me the errors you got. What version of matlab are you running? Try one of those I mentioned, since they definitely work. I'm sure one of your coworkers will have those versions, and for this stage of unfolding you only need your unfolded file and the ubs_dots.m, WIEN2k is no longer needed. As for the klist_band file generator. I'm working on that intensively and I believe it should be ready in a week or two. The stage it is at now is definitely not user friendly but i'm working on that too. I will let you know when its finished. Best regards Maciej Polak _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html