[Wien] How to use structeditor

Michael Sluydts Michael.Sluydts at UGent.be
Wed May 15 17:45:50 CEST 2013


Hello Vishal,

Everything should be possible in the structeditor, since in the end it 
just represents the structure by a matrix of positions. Some scripting 
may be needed though so be sure to look up some octave/matlab tutorials 
if you're not familiar with it.

You can either use the makesurface function to make slabs of each 
material and then combine them using mergestruct or just matrix 
operations (possibly after moving them with movealla). Alternatively you 
can just make a Si slab with makesurface and start adding to it with 
functions like addatom (and maybe make your own function to add an 
entire layer).

You'll have to use some geometry to make sure everything ends up in the 
right spot though and make sure that you are working in the right 
coordinate system (of the eventual cell, surface.lat2car is a useful 
property there).

Check the helpstruct command to get an idea of what all is possible (and 
after that you can always send another email with more specific questions).


Regards,

Michael Sluydts
Op 15/05/2013 17:28, vishal jain schreef:
> Dear all,
>
> I want to make Fe/Co/Al (5 trilayers) multilayer structure on Si(100) 
> using structeditor, It's possible or not?
>
> Thanks and Regards
>
> Vishal Jain
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at 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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130515/b69febf3/attachment.htm>


More information about the Wien mailing list