I believe you have to use the older PORT method, I don't think the newest mixer is in the non-collinear code.
--- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University http://www.numis.northwestern.edu Corrosion in 4D http://MURI4D.numis.northwestern.edu Co-Editor, Acta Cryst A "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi On Jul 31, 2015 2:51 AM, "徐远骥" <yuanj...@iphy.ac.cn> wrote: > Dear all: > I use the no-collinear wien2k code to relax atom position. As I > usually do in the collinear wien2k code(there is no problem in collinear > code calculation), I change the case.inm file switch parameter MSR1 to > MSR1a. And when I run the program, I use option runncm -fc 1 -cc 0.0001 > -ec 0.0001 . > But after self-consistent cycle, the case.struct file is the same as > I input. There is no change. > So I want to ask, how to operation in correct way to relax the atom > position? > > Best wishes! > > > > -- > Xu yuanji > University of Chinese Academy of Sciences (UCAS) > E-mail: yuanj...@iphy.ac.cn > > > >
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