[DFTB-Plus-User] DFTB-Plus-User Digest, Vol 69, Issue 2

[n.salami at srbiau.ac.ir]

Dear Gabrielle,
Good time.

thank you for your swift response.
Since I am new to DFTB, I am not quite familiar with the terms you
mentioned in your good comment, namely, Shell Script and typo.
FYGI, I have placed the HSD files for source as input file for DFTB in a
specific folder, named "source", afterwards, I have put the pre-compiled
binary code for DFTB in the a/m folder, and then, I  have run the command
below:
./dftb+
Subsequently the same process has been carried out for the drain.
Then, out of those directories, I made a folder named "device", after
that, I ran the HSD file for device by entering this command in terminal:
./dftb+
When I faced the error below:
" Please create a directory called contacts,
libnegf not initialized"

Could you pls advise in simple language, what may I possibly do to rectify
the error above.

My appreciations.
Regards,
Nadia Salami

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> Today's Topics:
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>    1. Re: error while running SiNW example in the code
>       (Gabriele Penazzi)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Mon, 07 Oct 2013 09:35:02 +0200
> From: Gabriele Penazzi <gabriele.penazzi at bccms.uni-bremen.de>
> To: dftb-plus-user at dftb-plus.info
> Subject: Re: [DFTB-Plus-User] error while running SiNW example in the
> 	code
> Message-ID: <52526426.5030704 at bccms.uni-bremen.de>
> Content-Type: text/plain; charset=ISO-8859-1
>
> On 10/05/2013 09:14 AM, n.salami at srbiau.ac.ir wrote:
>> Dear all,
>> I'm trying to use the precompiled binary dftb+ in the
>> dftbp-negf_r4305.x86_64-linux for transport calculation of SiNW in the
>> examples of code.
>> I run dftb+ for every contact seprately.
>> But when I run dftb+ for device, I encounter to the error,
>>
>> Please create a directory called contacts,
>> libnegf not initialized
>>
>> then I created a directory called contacts, but I encounter to the
>> error, again.
>> Please help me to solve this problem.
>
> Hi,
>
> Did you check if it can be just a typo? Or maybe you're running the
> calculation with some script and creating the directory in the wrong
> place?
>
> If you can not solve it, can you reproduce a minimal failing example in
> a shell script?
>
> Best,
> Gabriele
>
>
>>
>> Tanks,
>> Best Regards,
>> Nadia Salami
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>
>
> --
> Dr. Gabriele Penazzi
> BCCMS - University of Bremen
>
> http://www.bccms.uni-bremen.de/
> http://sites.google.com/site/gabrielepenazzi/
>
> phone: +49 (0) 421 218 62337
> fax: +49 (0) 421 218 62770
>
>
>
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> End of DFTB-Plus-User Digest, Vol 69, Issue 2
> *********************************************
>