« previous next »
Pages: [1]   Go Down

Author Topic: calculating the PDOS with ATK2010.02  (Read 11861 times)

0 Members and 1 Guest are viewing this topic.

Offline eastnobil

  • Regular QuantumATK user
  • **
  • Posts: 19
  • Reputation: 0
    • View Profile
calculating the PDOS with ATK2010.02
« on: April 2, 2010, 04:26 »
Pay attention to the changing syntax of ATK2010.02, I think the scripts of calculating Projected Density of States  should have corresponding changes. How to modify the script of PDOS in ATK2008?

Admin modification: Changed the subject from POS to PDOS to make searching for this easier
« Last Edit: April 2, 2010, 22:27 by Anders Blom »
Logged

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5583
  • Country: dk
  • Reputation: 100
    • View Profile
    • QuantumATK at Synopsys
Re: calculating the PDOS with ATK2010.02
« Reply #1 on: April 2, 2010, 22:31 »
DOS and PDOS will be implemented in ATK 2010.xx properly (i.e. directly in the code, not as add-on scripts), but for now it's not an available feature. To modify the existing 2008.10 scripts for that wouldn't really be possible, because they rely on inner workings in the old code, which are no longer present.
Logged
Pages: [1]   Go Up
« previous next »