[Wien] using wien2k for structures contain defects, voids, ...

ahmad gharleghi ah.gharleghi at gmail.com
Thu Nov 24 07:06:20 CET 2011


*Dear all wien2K Users,*

*I hope you are all happy.*

*My question backs to possibility of running Wien2k for structures contain
defects, voids or interstitial ions. *

*Is it possible to make calculation for such structures?*

*As I do remember, at least in the old version of wien2k, it was not
possible!*

*Noteworthy, I have tried to find the answer among FAQ; but it was
unsuccessful.*

*I do appreciate for any detailed information.*

*Ahmad Gharleghi*
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