[Pw_forum] Basic question on Band structure
faccin.giovani at gmail.com
Tue Feb 15 17:03:21 CET 2011
Hi Rose Mary,
See if you can find this book: V. L. Moruzzi, J. F. Janak, A. R. Williams;
Calculated Electronic Properties of Metals.
It's a kind of handbook containing calculated DOS and other properties for
many elements. Then you just have to plot your calculated DOS e compare with
the book's plot.
2011/2/15 Rose Mary <rose1988.mary at gmail.com>
> Hi all,
> I need to ask all a very question,I am a new user of espresso, also I am a
> very new in solid state Physics ,how shall I predict that my calculated band
> structure is correct?Also it will be helpful if I can get some theory of
> fundamentals of band structure calculation .
> Rose Mary
> University of Kent
> Pw_forum mailing list
> Pw_forum at pwscf.org
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