[Pw_forum] charge density units?
Lorenzo Paulatto
paulatto at sissa.it
Sat May 2 13:27:00 CEST 2009
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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