MedeA VTST -reg

Vasp transition state theory tools

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kishoremayur
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Joined: Mon Feb 29, 2016 4:41 am

MedeA VTST -reg

Post by kishoremayur »

Hi all,
I am using VASP in MedeA interface with Windows OS. I have my initial and final relaxed structures. Apart from limiting the number of images and setting the SPRING value as -5, what things I need to take care additionally while running a NEB calculation ?



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graeme
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Re: MedeA VTST -reg

Post by graeme »

I have never actually used MedeA; I think your question is better suited for the MedeA or vasp developers.
kishoremayur
Posts: 3
Joined: Mon Feb 29, 2016 4:41 am

Re: MedeA VTST -reg

Post by kishoremayur »

thanks Professor
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