上传者: 42097914
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上传时间: 2023-03-01 20:35:20
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文件大小: 301KB
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文件类型: C
VASPMO aims at visualizing wavefunctions (or molecular orbitals) from VASP calculations. It reads VASP's output files PROCAR and CONTCAR, and exports an *.out file in Gaussian's output format, which can be visualized by many popular visualization tools, such as JMol, Molekel, Chemcraft, Gabedit and Molden, etc. These tools can further generate *.cube files, which can be visualized by an even wider range of softwares.
读入VASP计算得到的PROCAR和CONTCAR文件,输出Gaussian结果文件。该文件能够被常用的量子化学可视化软件(如Molekel、Chemcra