scftocif

Module to extract structures

Functions

cellpar(filename)	Function to compute lattice parameters :param filename: :type filename: QE scf input file
main()	main function
scf_tocif(filename)	Function to convert QE scf.in file to .cif prameters --------- filename : QE input file

scftocif.scf_tocif(filename)

Function to convert QE scf.in file to .cif prameters ——— filename : QE input file

scftocif.cellpar(filename)

Function to compute lattice parameters :param filename: :type filename: QE scf input file

scftocif.main()

main function