Dr. Shu-jun Hu wrote: > The string '0 0 0' means the position of corresponding ions has been fix. > When > such strings have been removed from the output file, the whole relax process > can > be displayed correctly. I suggest removing the 0 0 0 string from the output > file > or fix the bug of xcrysden.
which version of xcrysden are you using? I think this is fixed in the most recent versions P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
