Data for: Effect of Randomly Distributed Asymmetric Stone-Wales Defect on Electronic and Transport Properties of Armchair Graphene Nanoribbon

this data consists of two files. the SW_Graphene.dat file is an input file for OpenMX material software package. the .py is the python program to generate and simulate the defected nanoribbon. this file can be edited to generate a desired defected GNR with four possible different distribution. in case of ambiguity please contact the author. it should be noted that SciPy, NumPy, and Kwant python packages are needed to run the python file.本数据集包含两个文件。其中SW_Graphene.dat文件为OpenMX材料软件包的输入文件。该.py格式文件为用于生成并模拟带缺陷纳米带的Python程序，可通过编辑该文件生成具备四种不同分布形式的目标缺陷型石墨烯纳米带（Graphene Nanoribbon，GNR）。若存在表述模糊之处，请联系数据集作者。需特别说明的是，运行该Python文件需依赖SciPy、NumPy及Kwant这三个Python软件包。