« previous next »
Pages: [1]   Go Down

Author Topic: geometric optimization  (Read 2733 times)

0 Members and 1 Guest are viewing this topic.

Offline piyush_cuj

  • New QuantumATK user
  • *
  • Posts: 2
  • Country: in
  • Reputation: 0
    • View Profile
geometric optimization
« on: December 29, 2012, 06:22 »
hey,
i was running the geometric optimization of a ZigZag nanowire with one end passivated with hydrogen...it is taking too much time (almost 18 hours and still running.....)....a i doing something wrong or will it take this much time?
Logged

Offline kstokbro

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 392
  • Reputation: 13
    • View Profile
    • QuantumWise
Re: geometric optimization
« Reply #1 on: December 29, 2012, 23:50 »
it sounds very long,
without seeing your script it is difficult to help, maybe you have too many k-points ?
Logged
Pages: [1]   Go Up
« previous next »