[Pw_forum] Is it possible to calculate projected density of states for only one H in a chain of different atoms

[xirainbow]

After pdos calculated, ESPRESSO will give pdos for each atom in unit cell.

On Wed, Nov 4, 2009 at 7:59 PM, Shaptrishi Sharma <sh.shapt at gmail.com>wrote:

> Hi there,
>
> I would like to know, is it possible to calculate the projected density of
> states for only one atom like Hydrogen or Nitrogen in a chain of of
> different atoms, as I have tired using the coordinate of a single hydrogen I
> mean I gave as
>
> 0.00 0.00 0.00
> coordinates of Hydrogen,
>
> in this case the calculation does not run .
> Thanks
>
>
____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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