UT theoretical chemistry code forum

Dear everyone

I want to ask a help on charge density file with the cube format,,,,,

So I already use the chg2cube.pl script to convert CHGCAR file into cube format and then I want to visualize the result.....I'm hoping to see the result of crystal where I could manipulate the isosurface density of ...

Dear graeme

Thanks so much for your reply,,,,I try the new script just now and type the vasp2xyz.pl and it works,,,,,,WOW amazing,,,,

I will play around now with the vtstscripts........Thanks so graeme and UT AUSTIN

GBU

Dear everybody

I'm newbee in using linux system and the vtstscripts,,,,,,I read from http://theory.cm.utexas.edu/vtsttools/scripts/ the procedure to install,,,,,,,,it was stated that I need to

"adding the vtstscripts directory to your path"

so I add a line in my .bashrc like this ...