Dear siesta users, I recently discovered siesta and I wanted learn more about ab initio calculation so I had a look at pseudopotential and DFT theory and started playing with siesta.
After completing tutorials and exercises present on siesta homepage I started working on a real problem: Ru substitution in LaFe(1-x)Ru(x)AsO. I was provided with LaFeAsO relaxed coordinates and input fdf by Felix Yndurain (whom I thank) so the only thing I needed to do is Ru pseudopotential. As all my results does not make much sense I suppose that my pseudopotential is bad. Since this is my first pseudopotential could someone be so nice to have a look at it? It's here: https://docs.google.com/document/d/1yMEMU4pa6UeU_ejjyKpm2rUe7Rd3s0E2ne3Su5HeKuA/edit?hl=en&authkey=CK6406IP Thanks in advances, Pietro Bonfa'
