Dear all, Is it possible to calculate a structure wiht transition metal in SIESTA? As I know, transition metal calculation in SIESTA is impossible, because it can not be converged. My structure is a simple tetrahedron structure with tungsten. Also how do I make Pseudo-potential file for transition metal? Is it different from other material? If anyone did like a this calculation, please give me a help. Thank you.
Regards, HeeSung Choi
