[Pw_forum] a small problem
贺伟
weihe at mail.ustc.edu.cn
Sat Dec 27 07:51:49 CET 2003
Dear all:
Happy new year!
Now I have a small problem.When I run pw.x to make a relax calculation,in the
fourth step of geometry relaxation, there is an error message :
linmin: 3rd order interpolation
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from linmin : error # 2
unexpected error
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Would somebody tell me the possible reason for this error? Thanks!
Best Wishes
Wei He
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