Dear All, Usually, when variable cell option is chosen, all three lattice vectors (a1,a2,a3) will be optimized to find the most stable structure. Is SIESTA possible to keep a1 and a2 unchanged and vary a3 to get a locally favored structure?
Thank you very much. --Zhen -- Zhen Zhu, Department of Physics and Astronomy, Michigan State University. East Lansing, MI 48824, USA Tel: (517) 488-2298
