[DFTB-Plus-User] DFTB-Plus-User Digest, Vol 61, Issue 7 for electrostatic potential

[Xiaobao]

Dear Dr. Bálint Aradi,

Where can i find Mullikan-charge information? Would you please explain more details? I am still not clear.

Thank you so much!
xiaobao,





At 2013-02-22 19:00:01,dftb-plus-user-request at dftb-plus.info wrote:
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>   1. electrostatic potential (Xiaobao)
>   2. Re: electrostatic potential (B?lint Aradi)
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>----------------------------------------------------------------------
>
>Message: 1
>Date: Fri, 22 Feb 2013 00:03:20 +0800 (CST)
>From: Xiaobao <xiaobaojsyz at 163.com>
>To: dftb-plus-user at dftb-plus.info
>Subject: [DFTB-Plus-User] electrostatic potential
>Message-ID: <652047fe.d03c.13cfd7ea335.Coremail.xiaobaojsyz at 163.com>
>Content-Type: text/plain; charset="gbk"
>
> Hi,
> I am a fresh Ph.D student working on computational material science. These days I am learning how to use DFTB+ code for my research. I got a question, would you please give me some brief procedures about how can I extract the electrostatic potential from the code? I did not find it on manual. Thank you so much!
>xli39
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>
>Message: 2
>Date: Thu, 21 Feb 2013 18:05:49 +0100
>From: B?lint Aradi <balint.aradi at bccms.uni-bremen.de>
>To: User list for DFTB+ related questions
>	<dftb-plus-user at dftb-plus.info>
>Subject: Re: [DFTB-Plus-User] electrostatic potential
>Message-ID: <512653ED.4010701 at bccms.uni-bremen.de>
>Content-Type: text/plain; charset="iso-8859-1"
>
>On 02/21/2013 05:03 PM, Xiaobao wrote:
>>  Hi,
>>  I am a fresh Ph.D student working on computational material science. These days I am learning how to use DFTB+ code for my research. I got a question, would you please give me some brief procedures about how can I extract the electrostatic potential from the code? I did not find it on manual. Thank you so much!
>> xli39
>
>See: http://www.dftb-plus.info/pipermail/dftb-plus-user/2010/000591.html
>
>  Best regards,
>
>  B?lint
>-- 
>Dr. B?lint Aradi
>Bremen Center for Computational Materials Science, University of Bremen
>http://www.bccms.uni-bremen.de/cms/people/b_aradi/
>
>
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>End of DFTB-Plus-User Digest, Vol 61, Issue 7
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