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://pwscf.org/pipermail/pw_forum/attachments/20130514/94e8ab0e/attachment.html
with what you did. I'll have a look at it if you
> >> wish, if it improves prowfc it is of course welcome.
> >>
> >> bests
> >>
> >>
> >>
> >> --
> >> Dr. Lorenzo Paulatto
> >> IdR @ IMPMC -- CNRS & Universit? Paris 6
e in advance if this is something obvious that
> I've overlooked.
> Thank you,
> J. Wohlwend
>
> Universal Tech. Corp.
>
>
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Dear Natalie, Dear Lorenzo
the code projwfc calculate the projection of the crystal
wavefunctions on the reference atomic wavefunctions of each atom in
the cell (after these have bee orthogonalized). as such it strongly
depends on which atomic wavefunctions are included in the reference
On 05/08/2013 06:43 PM, Holzwarth, Natalie wrote:
> It slightly worries me that the pdos defined in this way is fairly
> sensitive to the PAW dataset used.I am having a debate with myself
> about whether it might be good to append a piece of code I wrote long
> ago to your code to