high_frequency_dielectric: 10.32 pop_frequency: 8.16 static_dielectric: 12.18 # performance settings mobility_rates_only: true write_mesh: true 调用执行命令为 amset run 可自动读取并计算。后续画图可执行 amset plot rates mesh_99x99x99.h5 该文件夹中存在GaAs.py脚本,可直接python执行完成计算和绘图过程...
elastic_constant: 139.7 high_frequency_dielectric: 10.32 pop_frequency: 8.16 static_dielectric: 12.18 # performance settings mobility_rates_only: true write_mesh: true 调用执行命令为 可自动读取并计算。后续画图可执行 该文件夹中存在GaAs.py脚本,可直接python执行完成计算和绘图过程,内容如下,使用时请注意v...
high_frequency_dielectric: - 10.0 - 10.0 - 10.0 doping: - type: uniform concentration: 1e20 radius: 10.0 band_edge: 0.0 donor: True acceptor: False materials: - "Si" temperature: 300 soc: False band_edges: - 0.0 - 0.0 dos: - 1000 scattering: - "polar_optical" kgrid: - [20, 20...
high_frequency_dielectric: 10.32 pop_frequency: 8.16 static_dielectric: 12.18 # performance settings mobility_rates_only: true write_mesh: true 调用执行命令为 可自动读取并计算。后续画图可执行 该文件夹中存在GaAs.py脚本,可直接python执行完成计算和绘图过程,内容如下,使用时请注意vasprun.xml文件路径 ...