[Pw_forum] TDDFPT module -- input read error check

[Marci]

Dear All,

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:

     READ (5, lr_input, err = 200, iostat = ios)
200  CALL errore ('lr_readin', 'reading lr_input namelist', ABS (ios) )

It took me some time to realize I had a wrong input variable causing
the code not to read remaining input variables from the lr_input
namelist.

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

terminator (TDDFPT/Doc/turbo_spectrum_input.txt, wrong) <-> extrapolation (good)

Sincerely,
Marton Voros

--
PhD candidate
Department of Atomic Physics
Budapest University of Technology and Economics
Budafoki ut 8., H-1111, Budapest, Hungary