Dear all
I am intensively trying to build (or convert) pseudo potentials of Zr, Y and Lu to make phonon calculations. Unfortunately, all the PP?s I got, gave weird band structures, very far from what I got with US PPS. As anybody these PPS files or a reliable way to check if a PP is ok or not before trying it in a very long calculation? Thanks for your help. J?r?mie Jeremie Teyssier DPMC 24 quai Ernest Ensermet CH-1211 Geneve 4 SUISSE tel: (41) 22 379 65 78 fax: (41) 22 379 68 69 web: <http://optics.unige.ch/jeremie/home_jeremie.html> http://optics.unige.ch/jeremie/home_jeremie.html -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20070125/b50f4bc9/attachment.htm