[Pw_forum] charge density units?

[Lorenzo Paulatto]

On Sat, May 2, 2009 12:25, K V Vamsi wrote:
>  Hi,
>  I am vamsi from IISc bangalore..............
>  I am using the package for quite some time ...........
>  I have plotted the charge density 2D plots.......... wat are the
>  unitsexactly ?
>  there is a minimum and maximum value of thegrid what does it mean
>  exactly.........?

please have a look at the mailing list archives, where the question has
been asked and answered several times:
<http://www.google.it/search?q=charge+density+unit+pw_forum+site%3Ademocritos.it>

>  Do this calculations include total charge or the valence charge?
>  please let me the answers for these questions......................

only valence charge is included, if you are using ultrasoft
pseudopotential augmentation charge should be included as well.

regards
-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/



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