[Pw_forum] error in vc-relax

[Lorenzo Paulatto]

In data 30 ottobre 2011 alle ore 18:52:49, Abolore Musari  
<abmus007 at gmail.com> ha scritto:
> Dear QE Users, In my vc-relax calculation of my material, l
> encountered this error: from scale _h: error # Not enough space
> allocated for radial FFT: try restarting with larger cell_factor. pls
> l need ur assistance what exactly the input parameter shld l adjust.
> thanks abmus, Physics dept UNAAB


Dear Abolore,
just do as the message say: set cell_factor to something larger (check the  
Doc/INPUT_PW.txt for details), or start with a better guess for the  
lattice parameter.

best regards

P.S. there is a message size limit for messages sent to the mailing list  
but it is high enough that you do not need to use SMS abbreviation.

-- 
Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www.impmc.upmc.fr/~paulatto/
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