[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
>
>
>
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