[Pw_forum] Where to find old format pseudopotential files?

Paolo Giannozzi giannozz at nest.sns.it
Mon Jul 24 16:32:47 CEST 2006


On Thursday 13 July 2006 12:38, José Rui Faustino de Sousa wrote:

> Where to find old format pseudopotential files? [...]
> I have tried the PWscf website, under older version downloads the links
> are there, but all the links (at least all that I have tried) to
> www.sissa.it seem to be dead. 

unfortunately they ARE dead: when the web site was moved to another
server, something was not moved to the new site and eventually 
disappeared from the old site. RIP. 

> Versions prior to 1.2.* seem to be unavailable too.

see above. These are not lost, though: there should be copies somewhere,
if really needed

> Some documentation would be nice too... Corrections to
> 
<http://www.tddft.org/programs/octopus/wiki/index.php/Developers_Manual:Pp_reference#PWscf>
> would be very welcome. 

it looks reasonably correct. For the core correction:
  rho_core(r) = (a_nlcc + b_nlcc*r^2) exp ( -alpha_nlcc*r^2)

Paolo
-- 
Paolo Giannozzi             Phone:   +39/050-509876
DEMOCRITOS and SNS          Fax:     +39/050-563513 
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