A reminder about the qe-forge.org service:
* anybody who needs or likes to obtain an account on
qe-forge.org MUST SEND A MESSAGE TO support at qe-forge.org
after registration, as explained in the registration page
(and in the home page as well). Previous bad experience with
spammers is
://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.
>
>
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-- next part --
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130514/4e88a51e/attachment.html
.
-- next part --
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130514/f30bd454/attachment.html
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
