Dear SIESTA users, could anybody please tell me whether SIESTA is able to relax atomic and magnetic structures simultaneously and self-consistently.
For example, if one wants to find out whether a non-collinear ordering takes place in the magnetic system, should one just specify NonCollinearSpin T and relax the system? Or one should also specify the initial guess for the orientation of spins by specifying DM.InitSpin ? In the latter case do the specified orientation (and magnitude) of the moments on atoms change during relaxation or they remain fixed? I would appreciate your comments on this. Kind regards, Ivetta -- ---------------------------------------------------- Slipukhina I.V. Institute for Solid State Physics and Chemistry Uzhgorod University, 54 Voloshyn St., 88000 Uzhgorod, UKRAINE tel/fax +38 (03122) 3-23-39 e-mail: [EMAIL PROTECTED]
