[DFTB-Plus-User] DFTB-Plus-User Digest, Vol 28, Issue 8

thong leng lim limthongleng at gmail.com
Sat Apr 10 14:11:19 CEST 2010


Dear B?lint Aradi,

I must have made a big mistake. I was referring to the thesis by Habib
ur Rehman, "Theoretical studies of properties of cluster", 2008 and
thought take he was using the DFTB+ code. I think he is not. He must
have developed the DFTB code himself. In other words, i was mistaken
by the word "DFTB" and thought that it was "DFTB+".

Sorry again for the mistake made. And i presume that DFTB+ still have
no slater-Koster files for Ge-Ge and Si-Ge.

thanks

regards,
Thong Leng

On Sat, Apr 10, 2010 at 6:00 PM,  <dftb-plus-user-request at dftb-plus.info> wrote:
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>   1. Re: Unable to obtain the Slater-Koster files (B?lint Aradi)
>
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> ----------------------------------------------------------------------
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> Message: 1
> Date: Fri, 09 Apr 2010 13:41:07 +0200
> From: B?lint Aradi <balint.aradi at bccms.uni-bremen.de>
> Subject: Re: [DFTB-Plus-User] Unable to obtain the Slater-Koster files
> To: User list for DFTB+ related questions
>        <dftb-plus-user at dftb-plus.info>
> Message-ID: <4BBF1253.3070908 at bccms.uni-bremen.de>
> Content-Type: text/plain; charset="utf-8"
>
> thong leng lim wrote:
>> Dear all,
>>
>> I try to get the Slater-Koster files for Si-Ge and Ge-Ge but in vain.
>> They are not in any zip files when i download from DFTB.ORG website.
>> However, there are papers/thesis where they used it for simulation. I
>> also try to contact the author of the paper but no reply from him,
>> most likely that he has left the institution. Can someone shed light
>> on this matter? I would very much appreciated for any help offered.
>
>  Which paper do you refer to?
>
>  Best regards
>
>  B?lint
>
> --
> Dr. B?lint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> http://www.bccms.uni-bremen.de/en/~b_aradi
>
>
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