Author Topic: question on convergence  (Read 3833 times)

0 Members and 1 Guest are viewing this topic.

Offline kaypu

  • QuantumATK Guru
  • ****
  • Posts: 135
  • Country: 00
  • Reputation: 1
    • View Profile
question on convergence
« 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???

Offline Nordland

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 812
  • Reputation: 18
    • View Profile
Re: question on convergence
« Reply #1 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.

Offline kaypu

  • QuantumATK Guru
  • ****
  • Posts: 135
  • Country: 00
  • Reputation: 1
    • View Profile
Re: question on convergence
« Reply #2 on: December 11, 2010, 12:49 »
thank you