OUTCAR File Reading

Vasp transition state theory tools

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lizpan1
Posts: 5
Joined: Wed Nov 02, 2022 8:39 pm

OUTCAR File Reading

Post by lizpan1 »

Hello,

I am using VTST to model a transition pathway using NEB. Despite the fact that my beginning and end images (in folders 00 and 11 respectively) contain POSCAR and OUTCAR files, I consistently receive a message upon output of the interpolated images that "FOR LATER ANALYSIS, PUT OUTCARS IN FOLDERS 00 AND 11!" I would like to know if this is a reflection of the program not recognizing my existing files there or if this is a default reaction of the command.

Thank you.
graeme
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Re: OUTCAR File Reading

Post by graeme »

That's a good question. I expect that you didn't run the endpoints with a vasp code with our vtstcode linked in, but if you are willing to post it, I can verify that.
lizpan1
Posts: 5
Joined: Wed Nov 02, 2022 8:39 pm

Re: OUTCAR File Reading

Post by lizpan1 »

Thank you! I looked more into it and think everything is working now.
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