use the save to a folder feature that is, save each of your calculation to an appropriate folder inside Fe, say Fe_5x5x5 or rkm7_5x5x5 or whatever you like to have
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 Moustafa, Sabry [sabry...@buffalo.edu] Gesendet: Montag, 14. Mai 2018 16:41 An: wien@zeus.theochem.tuwien.ac.at Betreff: [Wien] allowing arbitrary name of the directory containing case files Hi; I am new to WIEN2k, so was wondering if one can allow WIEN2k to accept having the directory to have different name from the case.* files? That would be quite useful. Let’s say I have a case of Fe and I want to do k-points convergence test; so, for each k-mesh have to have a subfolder under the case name. Say, 5x5x5/Fe , 10x10x10/Fe , … etc. --- is that true? Thanks; Sabry :-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-:-: Sabry G. Moustafa, Ph.D. Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York. 511 Furnas Hall Buffalo, NY 14260-4200 716-645-1186 (office) 716-239-8543 (cell) E-mail: sabry...@buffalo.edu<mailto:sabry...@buffalo.edu> _______________________________________________ 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
