[Pw_forum] Creating a vacuum and isolating cell of 2layers

Thaneshwor Kaloni tkaloni at gmail.com
Fri Jul 13 08:19:43 CEST 2012


Dear Sohail,

If I understand you point clearly, creating a supercell can be a easy task.
Anyways, you could use Xcrysden to create your structure. I believe you
could
find some useful information in pw_forum arxiv. Without looking any
structure
its hard to comments or reply.
I would suggest you please paste your input file here to get further help!

Kaloni
Dear QE users

I wish to isolate 2 layers/4 layers by creating a vacuum of a compound
which exists in hexagonal form in bulk.

?i have succesfully run the program for its bulk structure

i dont know how to do that
Can anybody explain in detail as i am new to QE

Thanks

Sohail
KKU
Saudi
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120713/0cab813e/attachment.htm 


More information about the Pw_forum mailing list