[Q-e-developers] Implementation of PDOS resolved in k-space

Paolo Giannozzi giannozz at democritos.it
Thu Jun 10 12:46:32 CEST 2010


Guido Fratesi wrote:

>   I am posting thel modified projwfc.f90 which does not sum the PDOS 
> over the k-points[...] If this is of interest, I would be happy to finalize 
> these issues.

looks very interesting to me. Moreover, you produce nice pictures,
which are always a good sell :-)

Just a remark: the naming of input variables of "logical" type
is quite "illogical", since
- sometimes they start with t (CP style)
- sometimes they start with l (PW style)
- sometimes they start with any letter
I personally prefer the latter and a well-chosen name. Anyway,
it is a minor detail, and the current mess os not going to
disappear any time soon

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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