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The system donot converge

https://theory.cm.utexas.edu/forum/viewtopic.php?t=3275

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The system donot converge

Posted: Mon Jan 01, 2018 1:52 pm
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.

Re: The system donot converge

Posted: Tue Jan 02, 2018 1:55 pm
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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