UT theoretical chemistry code forum

Dr. Henkelman,

Great News!!
The link works. I had to copy the link first and then paste it into a new tab, and then it downloaded successfully. The script works absolutely fine. Thank you so much! :)

I clicked on this link and then attempted to access the available vtst tar files. Unfortunately, nothing seems to work. The link is not working :(

Dr. Henkelman, I would like to provide an update to my post. I attempted to use "./bader CHGCAR" directly, and it executed successfully, generating ACF.dat, AVF.dat, and BCF.dat files. These files seem to be yielding meaningful results. It appears that there might be an issue with the chgs...

Hello, I have just started using Bader Charge, and this is my first time being on this forum. As per the instructions, I first unpacked all the required files (for instance, Bader binary files, source code files, and chgsum.pl script). I ran electronic SCF calculation by adding these tags to my INCA...