Fix for output format change

lucydot / effmass

Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.

https://effmass.readthedocs.io/en/latest/

MIT License

70 stars 38 forks source link

Fix for output format change #39

Closed MatthiasGolomb closed 3 years ago

MatthiasGolomb commented 3 years ago

Output seems to have gone to tabulating band points, this should now correctly split lines again.

lucydot commented 3 years ago

Thanks @MatthiasGolomb

lucydot commented 3 years ago

@MatthiasGolomb can I check - if the FHI-aims change is only for the MD_light output level, do you know if this update to effmass will break parsing of files at other output levels?

MatthiasGolomb commented 3 years ago

I have tested it with previous output files of mine, so it should be all good as far as I know :)