[Wien] Request

[Laurence Marks]

As an addendum, you only really want to do the linearization energies
yourself in the final steps for very precise calculations. If you
really, really, really need to, see the FAQ and notes on the main
webpage.

On Thu, Jul 21, 2011 at 3:41 PM, Laurence Marks
<L-marks at northwestern.edu> wrote:
> Answer: don't. Except for molecules this is done by the code in a way
> that is good.
>
> 2011/7/21 imad khan <imadkhanphy.hu at gmail.com>:
>>     Dear Wien2k community,
>>
>> I am working on MgZnO in rocksalt and wurtazit structure my question is how
>> to calculate linerization energy. plz any body help.
>>
>>
>> Imad Khan
>> Ph.D Scholar Material Modeling Lab
>> Hazara University, Pakistan
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>>
>
>
>
> --
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60208, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> Web: www.numis.northwestern.edu
> Chair, Commission on Electron Crystallography of IUCR
> www.numis.northwestern.edu/
> Research is to see what everybody else has seen, and to think what
> nobody else has thought
> Albert Szent-Gyorgi
>



-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Research is to see what everybody else has seen, and to think what
nobody else has thought
Albert Szent-Gyorgi