Hello Wien2k users,
I have a simple doubt regarding the supercell calculations. I did creat a simple Fe molecule. After that I would like to create a supercell with one Fe atom is replaced with Rh atom. My qeustion is at what step I could change one Fe atom into Rh atom. Any help would be appreciated. Regards, Mokkath... -------------------------------------------------------- This mail sent through http://www.uni-kassel.de/www-mail