esta.qeBag.poscar_from_qe_input2
¶
QE_to_xPOSCAR.py Converts a Quantum Espresso (pw.x) input file to a VASP POSCAR format.
clean_line(line)
¶
Removes comments from a line. Quantum Espresso uses '!' for comments, while some files use '#'.
parse_qe_file(filename)
¶
Parses a Quantum Espresso input file to extract lattice vectors and atomic positions.
write_xposcar(data, output_file='xPOSCAR')
¶
Writes the extracted data into a standard VASP POSCAR format.