The system donot converge

Vasp transition state theory tools

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weiyidan
Posts: 52
Joined: Thu Mar 02, 2017 8:01 am

The system donot converge

Post by weiyidan »

Dear professor,
When i am doing static calculation, the electronic step does not seem to converge. However, i get the structure with ediff=1E-5. Can you help me?
Wish you happy new year.
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weiyidan
Posts: 52
Joined: Thu Mar 02, 2017 8:01 am

Re: The system donot converge

Post by weiyidan »

The electronic steps do not seem to converge after reduce Amix. How can i solve the problem?
Thanks for attention and support.
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