freq_process

Module to process phonon frequency

Functions

freq_process()

Function to process phonon frequencies from compound.freq.gp (gnuplot) and convert them into freq.plot (Xmgrace) format.

freq_process.freq_process()

Function to process phonon frequencies from compound.freq.gp (gnuplot) and convert them into freq.plot (Xmgrace) format.

This function reads phonon frequencies from a file named compound.freq.gp, which is in gnuplot format, and writes the frequencies to a file named freq.plot in Xmgrace format.

Parameters:

compoundstr

The name of the compound. It is provided as a command-line argument.

Returns:

None