[Pw_forum] constrained cell optimization

Eric Germaneau germaneau at gucas.ac.cn
Fri Mar 18 18:24:31 CET 2011


Dear all,

I wish to do a constrained cell optimization by keeping constant the c 
axis of my hexagonal lattice.
I tried to set "cell_dofree" but the program complains.
So, can you please tell me whether there a way do to it.
Thanks in advance,

                              Eric.

-- 
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---

Dr. Éric Germaneau <mailto:germaneau at gucas.ac.cn>

College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China

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