tdep-developers/tdep

lineshape --readpath is not working

Closed this issue · 5 comments

Hi,

I want to generate the phonon spectral function along a specific path in the BZ, so I modified the file.qpoints_dispersion and ran "lineshape --read path". I found that lineshape does not support the --readpath option, and only support the --path option (i.e. default TDEP directions). Please do needful.

Thanks,
Mayank

Please provide your input files and a script that contains the commands you used to run lineshape

TDEP.zip
Please see the attached input file. I ran the following command

lineshape --readpath, --temperature 300 --dumpgrid

Thanks,
Mayank

By specifying --dumpgrid, you produce the spectral function on a q-point grid. You want it on a path, therefore you need to specify --path. Then --readpath will work, please find example plots from your data attached

outfile phonon_spectral_function_path
outfile phonon_spectral_function

Thank You so much for your prompt response. Yes, its working now.

I also added an error message when conflicting options are passed to lineshape in 9e897a5