Doubts in antiferromagnetic input files of NiO (Rock salt AFM)

[soumyakanta panda]

Hi Users

I have some doubts regarding the input  and material file of  antiferromagnetic NiO(rock salt). As oxygen is non-magnetic and Ni occupies fcc positions in the rocksalt NiO crystal, which crystal structure ( crystal structure fcc or crystal structure rock salt) should be included in the input file ?

As both these structures are inbuilt in the code should i make a UCF file for this antiferromagnetic material. 

Kindly help regarding the construction of input  file in NiO(rock salt) type of antiferromagnet. The Ni2+ spins are ferromagnetically aligned within each (111) plane and antiferromagnetically aligned between adjacent (111) planes.

Thank you

Soumya

IIT Bhubaneswar

[hoody]

Hi, have you solve it?

can you post the NiO.ucf?

Thank you~

[Prayash Dutta Avi]

Please share the ucf file if you have solved it. Thanks in advance.