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
