Author Topic: Problem in optimization of device  (Read 75 times)

0 Members and 1 Guest are viewing this topic.

Offline Ambika kumari

  • Regular ATK user
  • **
  • Posts: 23
  • Country: in
  • Reputation: 0
    • View Profile
Problem in optimization of device
« on: July 15, 2022, 08:26 »
Dear Admin
What if I optimize my device using LCAO without considering SCF. Will this device work? If i optimize my device using LCAO with SCF it rarely converge.
K is 1*15*120 and mesh cutoff=65 Hatree.
Kindly reply as soon as possible

Offline Anders Blom

  • QuantumATK Staff
  • Supreme ATK Wizard
  • *****
  • Posts: 5072
  • Country: dk
  • Reputation: 85
    • View Profile
    • QuantumATK at Synopsys
Re: Problem in optimization of device
« Reply #1 on: July 19, 2022, 23:44 »
I would suggest optimizing it in steps, not going for the whole device at once. You can see some tips on this in https://docs.quantumatk.com/tutorials/optimize_device_configuration/optimize_device_configuration.html

Offline Ambika kumari

  • Regular ATK user
  • **
  • Posts: 23
  • Country: in
  • Reputation: 0
    • View Profile
Re: Problem in optimization of device
« Reply #2 on: July 20, 2022, 09:23 »
I optimized my device by seeing the tutorial you suggested
It optimized in case of forcefield but didnot converge in in case of LCAO.