input_files

Code availability<br>The Vienna Ab Initio Simulation Package (VASP) is a proprietary software available for purchase at https://www.vasp.at/.<br>Data availabilityThe simulation input files (INCAR POSCAR KPOINTS) are described in computational methods and shored in Simulation_input_files.tar.gz.

代码可用性<br>维也纳从头算模拟包（Vienna Ab Initio Simulation Package，VASP）为专有软件，可通过https://www.vasp.at/付费获取。<br>数据可用性<br>模拟输入文件（INCAR、POSCAR、KPOINTS）已在计算方法部分中说明，并存储于Simulation_input_files.tar.gz压缩包中。