[Pw_forum] dos

[Nicola Marzari]

Axel Kohlmeyer wrote:
> On Fri, 2009-05-08 at 17:22 +0200, Stefano Baroni wrote:
>> I think the question was slightly different. It would make sense to
>> project the DOS onto any localized orbital, and this irrespective of
>> the basis set employed (PW's, Gaussians, you name it ...) and of the
>> nature of the system (finite or extended), just in the same way as the
>> pdos is defined with respect to an atomic orbital. Projecting the dos
>> onto a molecular orbital is not implemenetd in QE, as far as I know. 

Dear All,

apologies about not having followed the pdos discussion - for the
dos one, though, projection on maxloc Wannier functions was first
discussed here (PL Silvestrelli et al, Solid State Communication, 1998)

http://dx.doi.org/10.1016/S0038-1098(98)00175-6

It would be really easy to construct these data from the wannier code;
we'll put this on the to do list.

			nicola


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