[Pw_forum] optimization

ali kazempoor kazempoor2000 at yahoo.com
Sun May 6 09:17:14 CEST 2007


Hi
 i make super cell that
its situation is in the center of big tetragonal cell
  and has hexagonal (wurtzite structure),
but i dont  know about the number of k-point, vaccum
and other detail 
if you can ,help me in these subject.(i attach my
input file)
thank you 
regards

__________________________________________________
Do You Yahoo!?
Tired of spam?  Yahoo! Mail has the best spam protection around 
http://mail.yahoo.com 
-------------- next part --------------
A non-text attachment was scrubbed...
Name: nanoMnAs.scf.inp
Type: application/octet-stream
Size: 1905 bytes
Desc: 3662017485-nanoMnAs.scf.inp
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20070506/40d8b860/attachment.obj>


More information about the users mailing list