I would just like to let you know that the problem is solved. There was 
something about the input. I only included two digits after the zero and 
changed the 1 in the last column to 0.10 and also omitted the word crystal at 
the end of K_POINTS and it worked out , i.e:

 

K_POINTS 
   101
   0.00 0.00 0.00  0.10
   0.01 0.01 0.00  0.10
   0.02 0.02 0.00  0.10
   0.03 0.03 0.00  0.10
   0.04 0.04 0.00  0.10
   0.05 0.05 0.00  0.10
   0.06 0.06 0.00  0.10
   0.07 0.07 0.00  0.10
   0.08 0.08 0.00  0.10
   0.09 0.09 0.00  0.10
   0.10 0.10 0.00  0.10
   0.11 0.11 0.00  0.10
   0.12 0.12 0.00  0.10
   0.13 0.13 0.00  0.10
   0.14 0.14 0.00  0.10
   0.15 0.15 0.00  0.10
   0.16 0.16 0.00  0.10
   0.17 0.17 0.00  0.10
   0.18 0.18 0.00  0.10
   0.19 0.19 0.00  0.10
   0.20 0.20 0.00  0.10
   0.21 0.21 0.00  0.10
   0.22 0.22 0.00  0.10
   0.23 0.23 0.00  0.10
   0.24 0.24 0.00  0.10
   0.25 0.25 0.00  0.10
   0.26 0.26 0.00  0.10
   0.27 0.27 0.00  0.10
   0.28 0.28 0.00  0.10
   0.29 0.29 0.00  0.10
   0.30 0.30 0.00  0.10
   0.31 0.31 0.00  0.10
   0.32 0.32 0.00  0.10
   0.33 0.33 0.00  0.10
   0.34 0.34 0.00  0.10
   0.35 0.35 0.00  0.10
   0.36 0.36 0.00  0.10
   0.37 0.37 0.00  0.10
   0.38 0.38 0.00  0.10
   0.39 0.39 0.00  0.10
   0.40 0.30 0.00  0.10
   0.41 0.41 0.00  0.10
   0.42 0.42 0.00  0.10
   0.43 0.43 0.00  0.10
   0.44 0.44 0.00  0.10
   0.45 0.45 0.00  0.10
   0.46 0.46 0.00  0.10
   0.47 0.47 0.00  0.10
   0.48 0.48 0.00  0.10
   0.49 0.49 0.00  0.10
   0.50 0.50 0.00  0.10
   0.50 0.50 0.00  0.10
   0.49 0.00 0.00  0.10
   0.48 0.00 0.00  0.10
   0.47 0.00 0.00  0.10
   0.46 0.00 0.00  0.10
   0.45 0.00 0.00  0.10
   0.44 0.00 0.00  0.10
   0.43 0.00 0.00  0.10
   0.42 0.00 0.00  0.10
   0.41 0.00 0.00  0.10
   0.40 0.00 0.00  0.10
   0.39 0.00 0.00  0.10
   0.38 0.00 0.00  0.10
   0.37 0.00 0.00  0.10
   0.36 0.00 0.00  0.10
   0.35 0.00 0.00  0.10
   0.34 0.00 0.00  0.10
   0.33 0.00 0.00  0.10
   0.32 0.00 0.00  0.10
   0.31 0.00 0.00  0.10
   0.30 0.00 0.00  0.10
   0.29 0.00 0.00  0.10
   0.28 0.00 0.00  0.10
   0.27 0.00 0.00  0.10
   0.26 0.00 0.00  0.10
   0.25 0.00 0.00  0.10
   0.24 0.00 0.00  0.10
   0.23 0.00 0.00  0.10
   0.22 0.00 0.00  0.10
   0.21 0.00 0.00  0.10
   0.20 0.00 0.00  0.10
   0.19 0.00 0.00  0.10
   0.18 0.00 0.00  0.10
   0.17 0.00 0.00  0.10
   0.16 0.00 0.00  0.10
   0.15 0.00 0.00  0.10
   0.14 0.00 0.00  0.10
   0.13 0.00 0.00  0.10
   0.12 0.00 0.00  0.10
   0.11 0.00 0.00  0.10
   0.10 0.00 0.00  0.10
   0.09 0.00 0.00  0.10
   0.08 0.00 0.00  0.10
   0.07 0.00 0.00  0.10
   0.06 0.00 0.00  0.10
   0.05 0.00 0.00  0.10
   0.04 0.00 0.00  0.10
   0.03 0.00 0.00  0.10
   0.02 0.00 0.00  0.10
   0.01 0.00 0.00  0.10 

 

Thanks for your help,

 

Elie


 
> To: pw_forum at pwscf.org
> Date: Tue, 2 Mar 2010 19:40:17 +0100
> From: paulatto at sissa.it
> Subject: Re: [Pw_forum] from card_kpoints : error # 1
> 
> On Tue, 02 Mar 2010 18:56:58 +0100, Elie Moujaes 
> <elie.moujaes at hotmail.co.uk> wrote:
> > Is thins a sign that something is going wrong there?
> 
> It depends on the editor you have used to create the file. Normally the ^M 
> are harmless (they are windows-style line termination, which most 
> compilers can digest). In order to get rid of them you can eitehr used 
> dos2unix (a command-line utility) or with the following command:
> cat -v input.file |sed -e 's/\^M'//g' -e 's/M-//g' > input2.file
> it will create a file called input2.file which does not contain any 
> "strange characters" and will also remove the "M-", which I have no idea 
> what they were, but are probably the real cause of the error.
> 
> -- 
> Lorenzo Paulatto
> 
> *** Note: my affiliation has changed! please send future
> correspondence to: <Lorenzo.Paulatto at impmc.upmc.fr> ***
> 
> post-doc @ IMPMC/UPMC - Universit? Paris 6
> phone: +33 (0)1 44 27 74 89
> www: http://www-int.impmc.upmc.fr/~paulatto/
> 
> previously:
> phd student @ SISSA & DEMOCRITOS (Trieste)
> phone: +39 040 3787 511
> www: http://people.sissa.it/~paulatto/
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
                                          
_________________________________________________________________
Tell us your greatest, weirdest and funniest Hotmail stories
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/20100302/23e29e87/attachment-0001.htm
 

Reply via email to