I have started to study diffusion by using vasp.
I'm using vasp that version is 4.6.21
How can I install TST Tools in my computer ??
Please, help me~~
I don't know how to install TST Tools?
Moderator: moderators
There are two parts to the vtsttools.
First, there is a collection of scripts which you can download and put in your path:
http://theory.cm.utexas.edu/vtsttools/scripts/
Second, there is code that links into vasp. This does not alter the normal operation of vasp, but instead just provides additional transition state finding methods and optimizers. Instructions for downloading and building vasp with this code can be found at:
http://theory.cm.utexas.edu/vtsttools/downloads/
Finally, if you want to use the Bader code, make sure to get vasp 4.6.31, so you can write all-electron cores for the PAW potentials.
First, there is a collection of scripts which you can download and put in your path:
http://theory.cm.utexas.edu/vtsttools/scripts/
Second, there is code that links into vasp. This does not alter the normal operation of vasp, but instead just provides additional transition state finding methods and optimizers. Instructions for downloading and building vasp with this code can be found at:
http://theory.cm.utexas.edu/vtsttools/downloads/
Finally, if you want to use the Bader code, make sure to get vasp 4.6.31, so you can write all-electron cores for the PAW potentials.
thank you, I have some questions
I downloaded vtstcode.tar.gz
but I could't find vasp source directory in my computer.
I'm using redhat enterprise 64bit 9.0
please help me~~
but I could't find vasp source directory in my computer.
I'm using redhat enterprise 64bit 9.0
please help me~~