checkfreq

Module to check if frequency is less than cutoff value

Functions

check_freq(filename)

If frequencies less than -1 THz are found, a file 'freq.dat' is created.

main()

main function

checkfreq.check_freq(filename)[source]

If frequencies less than -1 THz are found, a file ‘freq.dat’ is created. It runs within the ‘checkfreq-scan’ bash script.

Parameters: - filename (str): Phonon frequency filename in ‘name.freq.gp’ format created in QE calculations.

Returns: None

checkfreq.main()[source]

main function