[Wien] case.outputjoint format

Gavin Abo gsabo at crimson.ua.edu
Fri Nov 9 12:35:07 CET 2012


The UG says that the "switch" needs to be 6 (intraband contributions) or 
7 (including contributions from different bands) in case.injoint to get 
plasma frequency in case.outputjoint.  Probably, your switch is set to 4 
(dielectric tensor).

On 11/9/2012 3:20 AM, AJAY SINGH VERMA wrote:
> You are right sir but how to interpret the below 
> file(case.outputjoint) i dont kw how to find plasma frequency from 
> that as it contain dielectric constant vs energy only
>
> ------------------------------------------------------------------------
> Date: Thu, 8 Nov 2012 23:45:48 -0700
> From: gsabo at crimson.ua.edu
> To: wien at zeus.theochem.tuwien.ac.at
> Subject: Re: [Wien] case.outputjoint format
>
> I think you mean case.injoint.  See section 8.17.3 of the UG 
> (http://www.wien2k.at/reg_user/textbooks/usersguide.pdf). The 
> calculated plasma frequencies will be in case.outputjoint.
>
> On 11/8/2012 11:04 PM, AJAY SINGH VERMA wrote:
>
>     Dear users,
>     can anybody tell me what is the format of case.outputjoint
>     I want to calculate plasma frequency...
>     thanks
>     ajay
>
>
>
> _______________________________________________ Wien mailing list 
> Wien at zeus.theochem.tuwien.ac.at 
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121109/90475453/attachment.htm>


More information about the Wien mailing list