[Pw_forum] Fw: help needed

[TIMOTHY UTO]

 i try optimizing it in order to obtain something close to it but it was not converging at all.
 please sorry i also need to know allow to alloy it together for example 
 AB1-xCx
  how can i get d atomic positions for d atom A, B n C if am to vary x from 0, 0.25, 0.5, 0.75 and 1?
 thanks


Uto O T
phd candidate UI
-------------- next part --------------
A non-text attachment was scrubbed...
Name: BN.scf.in
Type: application/octet-stream
Size: 670 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150507/8bf84300/attachment.obj>