[Wien] ordered or disordered alloy

Sahra Sahraii sahraii1900 at yahoo.com
Wed Dec 30 22:02:22 CET 2015

Previous message: [Wien] gap problem in GGA+ U calculation of AFM NiO
Next message: [Wien] ordered or disordered alloy
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

Dear WIEN2k experts 



What's the difference between ordered and disordered alloys?
Is it necessary to construct the supercell for disordered alloys?If yes, what's the reason?
Best Regards


  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20151230/63d942bd/attachment.html>

Previous message: [Wien] gap problem in GGA+ U calculation of AFM NiO
Next message: [Wien] ordered or disordered alloy
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

More information about the Wien mailing list