This is the Linux app named VASPMO whose latest release can be downloaded as vaspmo.c. It can be run online in the free hosting provider OnWorks for workstations.
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VASPMO
DESCRIPTION
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、Chemcraft、Gabedit、Molden和JMol等）读取，进而绘制和观看体系的分子轨道。有些软件还能导出 cube文件（如Chemcraft和Molden等），从而又能被很多支持cube格式文件的可视化软件所识别。
Features
- !!! NEW VERSION v0.41 now able to treat more than 1000 bands!!!
- !!! NEW VERSION v0.4 with major updates and bug fixation !!!
- VASP v4.0 works for later versions of VASP (e.g., v5.4.*)
- Automatically determine the numbers of alpha and beta electrons from PROCAR
- Automatic normalization of the MOs so that their shapes are more appropriately visualized.
- Fixed the problem for visualization by JMol (tested for JMol 14.30.2)
- Fixed the bug that beta MOs are not written in the output for spin-polarized calculations.
Programming Language
C++, C
This is an application that can also be fetched from https://sourceforge.net/projects/vaspmo/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
