QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: kaypu on December 11, 2010, 10:29

Title: question on convergence
Post by: kaypu on December 11, 2010, 10:29

hello everyone
   the distance between the molecular and the electrode will infect the convergence ,is it right??
   if the distance is too short, it is hard to converge???

Title: Re: question on convergence
Post by: Nordland on December 11, 2010, 12:10

If the distance is unphysical short, it will impact convergence, otherwise it is only the quality of the results that are affected if the distances are incorrect.

Title: Re: question on convergence
Post by: kaypu on December 11, 2010, 12:49

thank you