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VASPMO download for Linux

Free download  VASPMO Linux app to run online in Ubuntu online, Fedora online or Debian online

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.


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