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OUTCAR File Reading

Posted: Wed Nov 02, 2022 8:49 pm
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.

Re: OUTCAR File Reading

Posted: Thu Nov 03, 2022 12:19 am
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.

Re: OUTCAR File Reading

Posted: Fri Dec 02, 2022 4:46 pm
by lizpan1
Thank you! I looked more into it and think everything is working now.