[Pw_forum] dos

[Axel Kohlmeyer]

On Tue, 2009-05-05 at 15:42 +0200, Gabriele Sclauzero wrote:
> Also averaging PDOS of equivalent atoms is not useful, since PDOS on all equivalent atoms 
> should be equal.
> I don't know what else you were meaning by "averaging", sorry.

it may be too obvious, but i would like to point out that the
difference between summing up and averaging is just a scaling factor.
taking into account all the concerns about comparing apples with
oranges, the only scenario where an average would make sense is to
compare different size supercells with otherwise identical structures.

cheers,
   axel.

> GS

> 
> o ------------------------------------------------ o
> | Gabriele Sclauzero, PhD Student                  |
> | c/o:   SISSA & CNR-INFM Democritos,              |
> |        via Beirut 2-4, 34014 Trieste (Italy)     |
> | email: sclauzer at sissa.it                         |
> | phone: +39 040 3787 511                          |
> | skype: gurlonotturno                             |
> o ------------------------------------------------ o
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.