A problem about OrderDisorderedStructure

Dear Professor,

I’m a student of Jilin University. I’m interested in Pymatgen and I want to learn it. However, There is less example in matgenb.materialsvirtuallab.org. I’m doing orderDisorderstructure job as:


import pymatgen as mg  

from pymatgen.io.cif import CifParser  

parser = CifParser("/home/abc/LLZO.cif")  

structure = parser.get_structures()[0]

from pymatgen.transformations.standard_transformations import OrderDisorderedStructureTransformation

trans = OrderDisorderedStructureTransformation()

ss = trans.apply_transformation(structure , return_ranked_list=100)

from pymatgen.analysis.structure_matcher import StructureMatcher

matcher = StructureMatcher()

groups = matcher.group_structures([d["structure"] for d in ss])



LLZO.cif posses 200-300 atoms and Li atom is disordered. When I run it, it is very slowly. So I want to ask some questions: 1. Whether I did right things. 2. I want to run the job with Multiple Processes, so how to do it? may I have some detail examples?

Good luck Best wishes