VASP utilities on my blog

[panda]

Hi everyone! I am in the process of putting together a collection of parsing scripts I have written in python on my blog:

http://www.quantumquibbles.com/blog

I will be updating the site regularly, and if there are specific things anyone is interested in please let me know. I know there has been some interest in COOP, COHP, and Wannier functions, so I am reading about those topics now and plan to post about them soon. I will be putting up plotting and parsing scripts for EIGENVAL, DOSCAR, and OUTCAR. I will also post about how to install python, numpy, matplotlib, pygtk, and other utilities used in the scripts. Once you get everything installed and working correctly it will make your live alot easier, trust me on this one. And the image quality on the figures produced from matplotlib versus gnu plot ls like night and day, there is really no comparison. If anyone is interested in using the scripts and can't get everything set up on their system there is a comment section at the end of every blog post and I can troubleshoot you through the instillation. I know how difficult this was for me when I was first learning, and it only makes sense for me to share my resources with everyone. I know right now there are only two scripts up but I will be updating the site pretty regularly, so please check back often. Currently I am working on a parser to extract the optical properties from GWo calculations. I also have an xml parser that I will post, and am working on a web form that takes lattice parameters and cell angles as input and returns a .cif file in .cif format.

Thanks!

~Amanda

[support_vasp]

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP