« previous next »
Pages: [1]   Go Down

Author Topic: the method of calculating the phonon  (Read 2785 times)

0 Members and 1 Guest are viewing this topic.

Offline Roc

  • QuantumATK Guru
  • ****
  • Posts: 104
  • Reputation: 0
    • View Profile
the method of calculating the phonon
« on: January 22, 2014, 10:01 »
Dear Sir,
     I want to know the method of calculating the phonon band, DOS, and phonon transmission spectrum for ATK-DFT and ATK-Classical calculators,  Direct method(namely  frozen-phonon), or DFPT method?   Thank u.

Roc.
Logged

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5576
  • Country: dk
  • Reputation: 96
    • View Profile
    • QuantumATK at Synopsys
Re: the method of calculating the phonon
« Reply #1 on: January 22, 2014, 16:26 »
Frozen phonons
Logged
Pages: [1]   Go Up
« previous next »