Dear VAMPIRE User Support Team,
I hope this message finds you well. I am currently working on calculating the transition temperature for a two-dimensional MoX3 system using VAMPIRE. The material has a tetragonal structure belonging to the P4/mmm (No. 123) space group, with Mo atoms carrying magnetic moments and X atoms being non-magnetic.
I have attached the unit cell png, as the magnetic interactions are primarily between the Mo atoms. My goal is to model the exchange interactions in the system and compute the transition temperature.
Could you please provide guidance on constructing the UCF (Unit Cell File) for this system? Specifically, I would appreciate advice on the following:
Defining the crystal structure and magnetic moments in the UCF.
Incorporating exchange interactions between Mo atoms.
Ensuring the correct symmetry and lattice parameters for the 2D tetragonal structure.
Any insights or examples related to similar systems would be greatly appreciated. Thank you in advance for your time and assistance.
Best regards,
