esta.vaspBag.inout.get_labelling_atoms
¶
get_all_atoms_lebels(ffile)
¶
by reading POSCAR, find the atomic labels of the atoms and total no of atoms
Parameters:¶
input: POSCAR file in current dir.
output: - list of strings of atomic lebels of all atoms according to the numbering of atoms in POSCAR file - integer for total number of atoms in the POSCAR file
author: sk email: sonukumar.physics@gmail.com