Convergence issues with DFT
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Just Got Here
1:21:29 AM PDT - Thu, Jul 3rd 2014
Quote:Huub
Jul 2nd 6:08 pm
Hi Moretto,
if you add "symmetry c1" to your geometry to turn the use of symmetry off you will find the calculation converges no problem.
Best wishes, Huub
It worked! Thank you very much!