On 06/30/2011 01:17 PM, Sanjeev Gupta wrote: > (if you are looking phase transition from one structure to another one),
In this case, the USPEX code is a more powerful tool than the method mentioned here. For more details, please see: http://han.ess.sunysb.edu/~USPEX/. It's a free code and can coorperate with pwscf/vasp/siesta, and so on. Regards. -- Hongsheng Zhao <zhaohscas at yahoo.com.cn> School of Physics and Electrical Information Science, Ningxia University, Yinchuan 750021, China
