DOSCAR and COOP visualization

[an5989]

Hi all,
What software(s) are necessary to visualize the DOSCAR file?

Thanks!

[qavo08]

You could use wxdragon.de

[an5989]

wxdragon.de returns the error:
./wxDragon_basic: error while loading shared libraries: libjbig.so.0: cannot open shared object file: No such file or directory

I'm not sure what libjbig.so.0 is, where to get it, and how to install it. Do you have any suggestions?

Thanks for your help!

[qavo08]

The latest version requires updated version of libraries. It's quite complicated to update these libraries because they may affect other programs. I requested the author to provide the older version of wxdragon, but he refused due to time demanding for maintenance. I decided to use mac version. It works well, but have to download COOP files from server to mac.

[terencelz]

I wrote a bunch of scripts to do these routine work.

https://github.com/terencezl/ScriptsForVASP

The PlotTDOS.py plots total density of states, with ISPIN auto detection. PlotLDOS.py deals with projected DOS, with ISPIN and LORBIT auto detection.

But you need to first have Python 2(.7), Numpy, Matplotlib installed. After that, go to the working directory with preferably all OUTPUT files (But DOSCAR is the only hard request)
>> python PlotTDOS.py -h
will show you a help screen output. Without '-h', it should just work and give you a figure called TDOS.pdf, and a formatted data file, and another file showing the states around Ef (+-0.2eV).