« previous next »
Pages: [1]   Go Down

Author Topic: hard to converge in IV curves of black phosphorus with F4TCNQ  (Read 2767 times)

0 Members and 1 Guest are viewing this topic.

Offline beauyy

  • Heavy QuantumATK user
  • ***
  • Posts: 53
  • Country: cn
  • Reputation: 0
    • View Profile
hard to converge in IV curves of black phosphorus with F4TCNQ
« on: February 6, 2015, 04:33 »
Dear sir,
  I am calculating the I-V curves of black phosphorus with F4TCNQ. The transmission calculation is converged under 0 V, however it is different to converge under other bias. What is the problem?
  ATK 11.8.2 cannot calculate the transmission of black phosphorus under bias > 1.0 V, however ATK 14.2 can do it. Is it a bug in ATK 11.8.2? How can solve this problem?
  I have attached the IV calculation .py document.
Logged

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5576
  • Country: dk
  • Reputation: 96
    • View Profile
    • QuantumATK at Synopsys
Re: hard to converge in IV curves of black phosphorus with F4TCNQ
« Reply #1 on: February 6, 2015, 12:41 »
Poor convergence is not a "bug", but during the last 3 years we have of course been able to tune and improve the algorithms to make convergence better.
Logged
Pages: [1]   Go Up
« previous next »