[Pw_forum] Calculation of projected density of states

[Gabriele Sclauzero]

Stefano is right. From the Doc/INPUT_PROJWFC.txt input description:


    +--------------------------------------------------------------------
    Variables:      Emin, Emax

    Type:           REAL
    Default:        (band extrema)
    Description:    min & max energy (eV) for DOS plot
    +--------------------------------------------------------------------

You don't even need to specify them, as the code computes by default the PDOS for all the 
energies from the bottom of the valence band to the eigenavlue of the highest energy state 
   included in the pw.x calculation. You can later chose the desired plotting range with 
your favorite plotting program.

Gabriele

Stefano Baroni wrote:
> Nobody better than you can judge ... I presume that Emin and Emax are 
> the minimum/maximum energies at which YOU want the pdos to be tabulated 
> .?... SB
> 
> On Sep 2, 2009, at 1:27 PM, Shaptrishi Sharma wrote:
> 
>> Hi there,
>> well, I would like to know how do we choose the value of Emin and Emax 
>> while calculating the projected density fo states
>>
>> Thanks
>> S
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