Why not simply using Data--Export--ASCII in (XM)Grace ? Works in Linux, Windows, and most probably also in iOS.
Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." ==================================== Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz and Max Planck Institute for Chemical Physics of Solids 01187 Dresden ________________________________________ Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Gavin Abo [gs...@crimson.ua.edu] Gesendet: Mittwoch, 4. Januar 2017 06:35 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] Regarding bands.agr format .dat is a generic extension often used for any "data" file. So which .dat format? There are different text and binary [1] .dat formats out there. If your trying to plot k (column 4) vs E (column 5) [2,3] in Origin, you should be able to import the case.spaghetti_ene into Origin [4]. You just need to figure out the import data settings [5] to get the data to come in as you want it. After the import, you should be able to export as a .dat [6]. There is a WIEN2k Matlab plotting script in section "10.7.2 Bandstructure Plot" of the thesis titled "Angle Dependent Magnetoresistance in Ti2Ba2CuO6+𝛿" [7] that you can see as an example. You could modify it to output a .dat in your preferred data format or use it as a guide to make a program in the coding language of your choice. [1] Ascii vs. Binary Files: https://www.cs.umd.edu/class/sum2003/cmsc311/Notes/BitOp/asciiBin.html [2] http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00803.html [3] http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-August/009659.html [4] http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10643.html [5] http://www.originlab.com/doc/User-Guide/Import-Data [6] http://www.originlab.com/doc/Origin-Help/Export-Wks-Mat [7] http://matthewfrench.net/thesis/matt_thesis.pdf On 1/3/2017 11:06 AM, Dr. K. C. Bhamu wrote: > Dear users > May I know, how to convert case.bands.agr file in *.dat format? > > Sincerely > Bhamu _______________________________________________ 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 _______________________________________________ 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