On 06/29/2011 11:24 AM, jia chen wrote: > Hi Hongsheng, > > You can find definitions of lattice vectors in INPUT_PW.txt and > calculate reciprocal vectors according to definition of reciprocal > vector. The name sometimes doesn't matter.
Good, thanks a lot. I've got it. Regards. -- Hongsheng Zhao <zhaohscas at yahoo.com.cn> School of Physics and Electrical Information Science, Ningxia University, Yinchuan 750021, China