Dear Sir, As per your suggestion i use make conventional(s) but showing same error I attached here both error file and structure file
Thanks & Regards Vishal Jain On Tue, Jun 4, 2013 at 1:05 PM, Peter Blaha <pbl...@theochem.tuwien.ac.at>wrote: > Instead of "makeprimitive", use "makeconventional(s) > > And please: view the resulting structure !!!! > > > On 06/04/2013 08:25 AM, vishal jain wrote: > >> I make a surface Fe(100) using Structgen, >> > > Following comand I use to make surface >> >> s=loadstruct("Fe.struct") >> >> s1=makeprimitive (s); >> >> n=[1 0 0]; >> >> s2=makesurface (s1,n,0,30,26); >> >> savestruct (s2, "Fe1.struct") >> > > -- > > P.Blaha > ------------------------------**------------------------------** > -------------- > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 > Email: bl...@theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/** > theochem/ <http://info.tuwien.ac.at/theochem/> > ------------------------------**------------------------------** > -------------- > ______________________________**_________________ > Wien mailing list > w...@zeus.theochem.tuwien.ac.**at <Wien@zeus.theochem.tuwien.ac.at> > http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien> > SEARCH the MAILING-LIST at: http://www.mail-archive.com/** > w...@zeus.theochem.tuwien.ac.**at/index.html<http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html> >
dstart.error
Description: Binary data
Fe1.struct
Description: Binary data
<<attachment: Fe1.png>>
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