I have sent you email with step by step guide already got from Gavin Abo. As the file size is big so can not go through this email.
On Sun, Dec 20, 2015 at 8:01 AM, Nazia Erum <eru...@hotmail.com> wrote: > Hello, > Prof. Blaha and wien2k user, > > I want to calculate cubic constants of a cubic perovskite compound with > method developed by charpin. I put valid case.struct and case.inst file in > the directory but when I want to init_elast through terminal it prompts > that you don't have valid case.struc file. Then I past this init_elast in > commandline of wien2k that says xnn invalid xnn error.while I am giving > correct bond length factor which is 2. > please guide me in this respect. > > ph.d. student > > > > _______________________________________________ > 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 > > -- Kind Regards Muhammad Sajjad Post Doctoral Fellow KAUST, KSA.
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