[Pw_forum] TDDFPT module -- input read error check

Paolo Giannozzi giannozz at democritos.it
Tue Nov 27 11:18:20 CET 2012


On Mon, 2012-11-26 at 11:57 +0100, Marci wrote:

> I suggest to change the post processing part of the TDDFPT module
> (TDDFPT/tools/tddfpt_calculate_spectrum.f90 in QE v. 5.0, also in
> later versions) so as to do an error check during input file reading:

thank you for your suggestion. I just added a slightly different
(parallel-safe) version of your fix

> Also there seems to be inconsistency between the documentation and
> what the code expects on how to do an extrapolation of the continued
> fraction:

I know nothing about this

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





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