Author Topic: PDOS by tag  (Read 4189 times)

0 Members and 1 Guest are viewing this topic.

Offline ams_nanolab

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 389
  • Country: in
  • Reputation: 11
    • View Profile
PDOS by tag
« on: April 21, 2016, 10:05 »
How can I analyze the pDOS on certain atoms in a configuration by tag or by elements?

Offline ams_nanolab

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 389
  • Country: in
  • Reputation: 11
    • View Profile
Re: PDOS by tag
« Reply #1 on: April 22, 2016, 09:38 »
Please reply.

Offline Jess Wellendorff

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 933
  • Country: dk
  • Reputation: 29
    • View Profile
Re: PDOS by tag
« Reply #2 on: April 25, 2016, 09:37 »
If plotting the DOS or Projected Device DOS using the 2D Plot plugin, you can select which atoms a shells to project onto:
http://docs.quantumwise.com/tutorials/atk_transport_calculations.html#device-density-of-states

Offline ams_nanolab

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 389
  • Country: in
  • Reputation: 11
    • View Profile
Re: PDOS by tag
« Reply #3 on: April 26, 2016, 11:27 »
Say i want to project for atoms 1-100, I have to write that like 1,2,3,...,100. Which is not a good way. Is it possible to make a script to select specific range atom indices (1-20, 20-25 or 1-100 like that) or select by species?
A script for that would be much appreciated.
« Last Edit: April 26, 2016, 11:31 by ams_nanolab »

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5576
  • Country: dk
  • Reputation: 96
    • View Profile
    • QuantumATK at Synopsys
Re: PDOS by tag
« Reply #4 on: April 26, 2016, 14:39 »

Offline ams_nanolab

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 389
  • Country: in
  • Reputation: 11
    • View Profile
Re: PDOS by tag
« Reply #5 on: April 28, 2016, 07:23 »
Okay, thanks I finally got it  from the GUI by selecting atoms  ;D don't know why it wasn't working earlier  :o