20.12.2016 22:27, kadda AMARA wrote:
I compiled the WIEN2k_16 withIntel® Parallel Studio XE 2016 Cluster Edition for Linux without any apparent problems, but I had the problem in running init_lapw. It seems that kgen dont work well (it generate 163 kpoint instead 72 kpoint at least in my example Zr2RhAl full heusler) see output of init_lapw above. any suggestion please?
Does earlier version give 72 points with the struct file? Attach the struct file in order that the error (?) could be reproduced. Best wishes Lyudmila Dobysheva ------------------------------------------------------------------ Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci. 426001 Izhevsk, ul.Kirova 132 RUSSIA ------------------------------------------------------------------ Tel.:7(3412) 432045(office), 722529(Fax) E-mail: l...@ftiudm.ru, lyuk...@mail.ru (office) lyuk...@gmail.com (home) Skype: lyuka17 (home), lyuka18 (office) http://ftiudm.ru/content/view/25/103/lang,english/ ------------------------------------------------------------------ _______________________________________________ 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