poscar_from_qe_input3

esta.qeBag.poscar_from_qe_input3

QE_to_xPOSCAR.py Fixed unit parsing to handle cases without parentheses (e.g., CELL_PARAMETERS Bohr). Automatically converts Bohr to Angstrom for standard VASP POSCAR compatibility.

clean_line(line)

Removes Fortran style comments (! or #) from the line.

parse_qe_file(filename)

Parses QE input file and accurately extracts units and parameters.

write_xposcar(data, output_file='xPOSCAR')

Writes standard VASP POSCAR, handling conversions if units were in Bohr.