DOS projection in Bader volume for VASP 5.4

[brightzhang]

Hey Graeme,

Do we have DOS projection in Bader Volume for VASP 5.4? There was one for older versions of VASP?

Best
Liang

[graeme]

This is a good question and one that keeps coming up. I've promised to look into this and a little extra motivation is helpful. It might just require a simple update to the installation script -- I will get to this by spring break, for sure!

[brightzhang]

Thanks! One of my colleagues asked me for it. I have also suggested him to follow the update on this forum.

[graeme]

I've updated the mkbrdpro.pl script in vtstcode to work with vasp 5.4 so that it builds now.

Some instructions can be found at this old page: http://theory.cm.utexas.edu/vtsttools_old/dos/

One difference is that you should not change the makefile; instead, change the /src/.objects file by adding the bdrpro.o object after the sphro.o object:

sphpro.o \
bdrpro.o \

I have not tested to see if it works yet, so if anyone does try it I would be very interested to know if there are any problems. If it does work, I'll update the documentation and maintain this functionality moving forward.