Re: [Wien] What are the atomic positions of the antiferromagnetic structure of the NiS compund

Thank you Mr Abo for your reply. I have tried your precedure and I got the same results. Best regards -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

Re: [Wien] What are the atomic positions of the antiferromagnetic structure of the NiS compund

The short answer: contact the corresponding author(s) of the literature and ask them if they can provide that data. The long answer: You could try the following to see if you can get what you want. 1. Start with the NiAs structure [ https://chemistry.osu.edu/~woodward/ch754/struct/NiAs.htm

[Wien] What are the atomic positions of the antiferromagnetic structure of the NiS compund

Dear wien2k's users I'm going to do the antiferromagnetic calculation of the NiS compound which has the NiAs structure in the non magnetic state (space group: 195 ;atomic positions : Ni2a 0, 0, 0 S 2c 1/3, 2/3, 1/4) The antiferromagnetic structure , as i found in the