[Wien] Querry in a resultant structure

Abderrahmane Reggad jazairdz at gmail.com
Wed Oct 25 22:39:33 CEST 2017


Hello again

Here is the 3 different AFM configurations

https://ibb.co/mqySFm


Here are the 4 independent Ni atoms


https://ibb.co/nt2nFm


Now the big problem lies in if is it possible tp get a monoclinic structure
(space group #11) with orthorhombic lattice parameters as we know that the
rhombohedral structure in wien2k is represented bt a hexagonal lattice
parameters.

Best regards
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