VASP plugins for Mathematica

The plugins include several functions can read VASP data files. These functions can complete VASP plugins for VMD, i.e. these plugins will handel data sets except structural data (e.g. POSCAR or XDATCAR). Momently, the plugins are under development to adjust to VASP5, thus I open only selected functions. However, the goal is to construct a Mathematica package one can load as a library.

This work is strongly inspired by the VASPTools written by Dr. Markus Lischka.

Mathematica Package file: VASPplugins.m
Examples of VASPplugins:

To open the plugins, one needs Adobe Reader or free Mathematica Player.
To run the plugins, one needs the latest version of Mathematica.

Tips for Mathematica

Run a Mathematica batch script in shell environment

  1. convert notebook to input form: Cell >> Convert To >> InputForm
  2. set to initialization group: Cell >> Cell Properties >> Initialization Group
  3. save as a package file: File >> Save As >> Mathematica Package
  4. run batch file in shell: math < pacakge.m