Dear Siesta users, Does anyone have accurate Pseudopotential and basis set for bulk fcc Al?
Using the PP of Al provided by the code, the hcp phase of bulk Al is much more stable than its fcc phase, which is in contrast to experiments. I also tried to generate the PP by myself, while the situation is the same. If anyone can share the PP with us and the result is consistent with experiments, we can list you as the co-author when we publish the work.Thanks. Helien _________________________________________________________________ Live Search视频搜索，快速检索视频的利器！ http://www.live.com/?scope=video
