[Pw_forum] dosup and pdosup in pdos_tot file

[Gabriele Sclauzero]

On 09/12/2010 08:11 PM, B. Koa wrote:
> Dear PWScf Users
>
> It seems that "dosup" and "pdosup" which are in the pdos_tot file must 
> be equal and really they are equal in many cases. But in some cases 
> they differ a very bit with each other. I think that the origin of 
> this very small difference is only the numerical procedure and not any 
> physical one. Am I correct ?

I don't think your statement is correct. DOS (density of states) and 
PDOS (projected DOS) are not the same quantity (otherwise why should one 
give them distinct names?). Please spend some time in searching their 
respective definitions (on textbooks, in the forum archives, or even 
looking at the code itself).


Regards,

GS

>
> Many Thanks
> B. Koa
>
>
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-- 

Gabriele Sclauzero, EPFL SB ITP CSEA
PH H2 462, Station 3, CH-1015 Lausanne

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