I don't know how to install TST Tools?

Vasp transition state theory tools

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matylove
Posts: 3
Joined: Sun Dec 02, 2007 12:51 pm

I don't know how to install TST Tools?

Post by matylove »

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~~
graeme
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Joined: Tue Apr 26, 2005 4:25 am
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Post by graeme »

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.
matylove
Posts: 3
Joined: Sun Dec 02, 2007 12:51 pm

thank you, I have some questions

Post by matylove »

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~~
graeme
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Posts: 2291
Joined: Tue Apr 26, 2005 4:25 am
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Post by graeme »

You need to contact the person who built vasp on the machine, or someone who understands how to build it from the source. Our posted instructions should make sense to that person.
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