[Pw_forum] vc_relax problem

[Marcello Rosini]

Hallo everybody
I am performing a variable cell relaxaion with pw.x 4.1. In particular I 
put the keyword cell_dofree='z', since I want to relax only the z axis 
(there is vacuum along the other two directions). It seems to me that 
the program does not care for this constraint and relaxes all the cell 
parameters.
Moreover, at the end the end the job exits with this error:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from scale_h : error #         1
     Not enough space allocated for radial FFT: try restarting with a larger cell_factor.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Am I wrong in setting up the calculation or is it a problem with pw.x?
any help is greatly appreciated.
You can find my input and output here:
http://cdm.unimo.it/home/fisica/rosini.marcello/relax_inout.txt

Many thanks in advance,
Marcello

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  email: marcello.rosini at unimore.it

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