简述了计算机在相图计算中的应用，对当前世界上使用最为广泛的两款相图计算软件进行了比较。
The application of computers in calculating phase diagrams is reviewed. Two kinds of the most widely used software are introduced and then compared with each other.
利用VASP软件包可计算形成能、相图、电压和材料的晶体结构参数及态密度等。
The formation energy, phase diagram, voltage, crystal structural parameter and density of state can be calculated using VASP software package.
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