[Wien] query about unmodified BJ potential

[Dr. K. C. Bhamu]

Dear Blaha and Wien2k users

I am still waiting a response for my query.

Thanks








*------------------------------------------------Dr. K. C. Bhamu(Dr. D. S.
Kothari Postdoc Fellow)Thin Films & Membrane Science Lab.Department of
PhysicsUniversity of Rajasthan, Jaipur, IndiaMob. No.  +91-9782911977*

On Thu, Apr 23, 2015 at 1:48 PM, Dr. K. C. Bhamu <kcbhamu85 at gmail.com>
wrote:

> Dear Wien2k users
>
> I am doing mBJ calculation for a ternary semiconductor. There are four
> options for different parametrization of mBJ:
>
> 0: Original.....
> 1: New parametrization (Koller.........
> 2:   New parametrization for semiconductors ........
> 3: Unmodified BJ potential (Backe.........)
>
> I got  reasonable band gap using unmodified BJ potential, option 3, than
> other options.
> My query is that: Should I put unmodified BJ potential as mBJ potential in
> paper or write simply unmodified BJ potential without mentioning mBJ
> potential?
>
> regards
>
>
>
>
>
>
> *------------------------------------------------Dr. K. C. Bhamu(Dr. D. S.
> Kothari Postdoc Fellow)Thin Films & Membrane Science Lab.Department of
> PhysicsUniversity of Rajasthan, Jaipur, IndiaMob. No.  +91-9782911977*
>
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