[Pw_forum] nanowire

ali kazempoor kazempoor2000 at yahoo.com
Mon Apr 30 15:09:03 CEST 2007


Dear all
I am phd student in isfahan and subject of my thesis
is about ab initio properties of Hexagonal
freestanding MnAs nanowire on GaAs(001).before this
time i worked  on interface of this system, but i
don't know about simulation of this nanowire in
espresso .please comment me in making supercell and
optimization of this structure.
thanks 



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