[Pw_forum] cell_dofree = volume not yet implemented

[Axel Kohlmeyer]

On Mon, 12 Jan 2009, lzh-ming wrote:

LMF> Hello everyone,

hello li-ming-fang,
  
LMF> I have tried to run pw.x to make a relax.
LMF> I set 
LMF>  &ions
LMF>  /
LMF>  &cell
LMF>     cell_dofree='volume',
LMF>  /
LMF> I got 
LMF>      from  metric_setup  : error #         1
LMF>       cell_dofree = volume not yet implemented 
LMF>  
LMF> So, what's the problem?

the code to do this is obviously missing
and somebody has actually been so nice to 
put a not to this extent there.

LMF> How can I implement volumn?

you can take your favorate text editor and write
the code to do it. it is as simple as that. 

this is how packages like Q-E come together:
people add to it what they need. ;)

cheers,
   axel.

LMF> Thank you.
LMF>  
LMF> li-ming-fan
LMF> -----------------------
LMF> Student for MoS,
LMF> Institute of Theoretical Physics, 
LMF> Lanzhou University, Gansu Province,
LMF> China,

-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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