[Pw_forum] phonon dispersion for graphene

[Elie Moujaes]

Sear PWSCF users,

 

I am calculating the phonon dispersion for graphene. I did the scf calculations then when I am running the ph.x command, I always get the error:

 

 

     Program PHONON    v.4.1.2  starts ...
     Today is 31Mar2010 at 12: 1:50 

     Ultrasoft (Vanderbilt) Pseudopotentials

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from phq_readin : error #         1
     reading inputph namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
 
 
which means that something is wrong in the input. But I could not fins any mistake in the input file...Can anyone please check it for me? My input is:
 
 
 
&inputph
  tr2_ph=1.0d-14,
  prefix='ph mono graphene',
  ldisp=.true.,
  nq1=28, nq2=28, nq3=1,
  amass(1)=12.00000,
  outdir='/tmp/results_MOUJAES/',
  fildyn='phmgraphene.dyn'
/
 
Thanks
 
Elie Moujaes
University of Nottingham
NG7 2RD
UK
 
  		 	   		  
_________________________________________________________________
Got a cool Hotmail story? Tell us now
http://clk.atdmt.com/UKM/go/195013117/direct/01/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100331/dd660ea6/attachment.htm