« previous next »
Pages: [1]   Go Down

Author Topic: The device calculation converged in 0 step  (Read 2462 times)

0 Members and 1 Guest are viewing this topic.

Offline huangshenjie

  • Heavy QuantumATK user
  • ***
  • Posts: 40
  • Country: cn
  • Reputation: 0
    • View Profile
The device calculation converged in 0 step
« on: March 5, 2013, 13:50 »
Dear all, during my calculation, the device calculation converged in step 0. Is that possible? ?

ps: the tolerence is 1e-5 and kpoints is 3*3*100
Logged

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5576
  • Country: dk
  • Reputation: 96
    • View Profile
    • QuantumATK at Synopsys
Re: The device calculation converged in 0 step
« Reply #1 on: March 5, 2013, 14:04 »
Who knows. You haven't provided any details.

But if it's a semi-empirical calculation you have make it self-consistent to get proper results.
Logged
Pages: [1]   Go Up
« previous next »