[Pw_forum] from card_kpoints : error # 1
Elie Moujaes
elie.moujaes at hotmail.co.uk
Tue Mar 2 22:00:32 CET 2010
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 - Université 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/
> _______________________________________________
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