« previous next »
Pages: [1]   Go Down

Author Topic: vacuum  (Read 2320 times)

0 Members and 1 Guest are viewing this topic.

Offline manishk19

  • Regular QuantumATK user
  • **
  • Posts: 13
  • Country: in
  • Reputation: 0
    • View Profile
vacuum
« on: February 18, 2018, 19:10 »
Sir,
please tell me how to introduce vaccum to avoid artificial inter-ribbon interactions in nanoribbon.
« Last Edit: February 18, 2018, 19:13 by manishk19 »
Logged

Offline Jess Wellendorff

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 933
  • Country: dk
  • Reputation: 29
    • View Profile
Re: vacuum
« Reply #1 on: February 19, 2018, 00:05 »
In the Builder, use the Lattice Parameters tool to increase the length of the appropriate lattice vector (most likely C).
Logged

Offline manishk19

  • Regular QuantumATK user
  • **
  • Posts: 13
  • Country: in
  • Reputation: 0
    • View Profile
Re: vacuum
« Reply #2 on: February 19, 2018, 14:07 »
how is cell padding is used for vacuum
Logged

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: vacuum
« Reply #3 on: February 19, 2018, 16:03 »
When increasing the lattice parameter (keeping atomic coordinates in Cartesian), you add the vacuum to the system. I suppose that what you call "cell padding" is the vacuum.
Logged
Pages: [1]   Go Up
« previous next »