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Nov 9, 2020
ec742e2 · Nov 9, 2020

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plotScatter

  1. 2cell

    1. 用于将生成的2cell中的min结构,max结构,amorphous结构的Dos weighted图(Dos-omega除外)。为了和dispersion图对应,DOS-omega图旋转90度。
      • k-omega
      • gv-omega
      • Dos-omega,
    2. 数据来源: cluster ~/Si_Ge_alloy/conv/2cell/2cell_CFC-1map/scatter_etal/rearrangeed_file/plotScatter-New/plotSIMPLE.py
    3. 画图脚本命令
      • python3 DOS-2cell.py 2cell
      • python3 k.py
      • python3 gv.py 2cell
  2. 421cell

    1. 用于生成不同mixed 粗糙界面结构的Dos weighted图(Dos-omega除外)。
      • gv-omega
      • Dos-omega
    2. 数据来源: cluster ~/Si_Ge_alloy/conv/421cell/kr_rough/klemens/....
    3. 画图脚本命令
      • python3 DOS-421cell.py 421cell
      • python3 gv.py 421cell

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