[gpaw-users] Bader analysis

[Marcin Dulak]

Hi,

`bader` is available from http://theory.cm.utexas.edu/bader/ as a 
compiled executable 
(http://theory.cm.utexas.edu/bader/download/bader_lnx_64.tar.gz),
i think only for 64-bit machines. Is it a kind of shell wrapper that you 
are executing?

Marcin

On 05/22/12 16:31, Vladislav Ivanistsev wrote:
> Dear all,
>
> Often I have an error executing as "sh bader": bader: 4: Syntax error: 
> word unexpected (expecting ")")
>
> or 'bader: 1: Syntax error: "(" unexpected', when compiled from source.
>
> I do remember, that at some machines the same bader worked, while at 
> others id didn't. Does anyone know what could be the reason and how to 
> fix this behavior?
>
> Regards,
> Vladislav
>
> On Fri, Jan 6, 2012 at 6:58 AM, Marcin Dulak 
> <Marcin.Dulak at fysik.dtu.dk <mailto:Marcin.Dulak at fysik.dtu.dk>> wrote:
>
>     Hi,
>
>     i think it's because you need also the bader executable
>     (http://theory.cm.utexas.edu/bader/)
>
>     Best regards,
>
>     Marcin
>
>
>     Vladislav Ivanistsev wrote:
>
>         With ASE and GPAW installed on ubuntu 11.04 followed the
>         tutorial: https://wiki.fysik.dtu.dk/ase/ase/dft/bader.html,
>         and got 'bader: command not found'. Some time ago I did Bader
>         analysis, but the command does not work in this time. Does
>         someone has a notion, why?
>         Gratefully,
>         Vladislav Ivanistsev
>         University of Tartu
>
>
>
>


-- 
***********************************

Marcin Dulak
Technical University of Denmark
Department of Physics
Building 307, Room 229
DK-2800 Kongens Lyngby
Denmark
Tel.: (+45) 4525 3157
Fax.: (+45) 4593 2399
email: Marcin.Dulak at fysik.dtu.dk

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