htesp.qe_axsf2cellpos¶

Converts .axsf file to cell positions

Functions

main([argv])

Main function to convert AXSF file "dynmat.axsf" to cell positions.

htesp.qe_axsf2cellpos.main(argv=None)[source]¶

Main function to convert AXSF file “dynmat.axsf” to cell positions.

FIX(21): main is the entry point htesp.workflow.run_helper() calls (with capture=True); it accepts an explicit argument list.

This function is the main entry point for the script qe_axsf2cellpos.py, which converts an AXSF file to cell positions. It takes command-line arguments specifying the AXSF file name, the mode to be considered, and a scale factor.

Parameters: None (relies on command-line arguments provided through sys.argv)

Returns: None