Re: [Wien] Ferrimagnetic/Ferrimognetic

Hi, If the system spontaneously became ferrimagnetic, then most likely it means that it is more stable (i.e., a more negative total energy) than ferromagnetism. There is no reason to redo the ferrimagnetic calculation, since you have it already. From: Wien on

Re: [Wien] How to start ferromagnetic calculation

Hello Xavier Rocquefelte Sir, I am getting the following details in .scf file. :MMINT: MAGNETIC MOMENT IN INTERSTITIAL =0.2 :MMI001: MAGNETIC MOMENT IN SPHERE 1=0.0 :MMI

[Wien] Ferrimagnetic/Ferrimognetic

Dear Wien2k users; we have done an SCF calculation for a compound that contains two different magnetic atoms, we oriented the spins of the two atoms in the same direction along z (ferromagnetic case) but at the end of the calculation, we found that they are moving antiparallelally (ferrimagntism)

Re: [Wien] How to start ferromagnetic calculation

1. You cannot simulate paramagnetism using DFT. Indeed, you need to go beyond in order to take into account the effect of temperature on the dynamical disorder of the magnetic moments. Using DFT you will have access to a static picture, which is OK if you want to simulate: - a non-magnetic sta

[Wien] How to start ferromagnetic calculation

Hello wien2k users, I am working on half-Heusler compounds. I have a few questions: 1. Which command should I use to know that my material is para, dia or ferromagnetic material? 2. Can I run ferromagnetic properties using the AFM program? Thanks and Regards