QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Roc on January 22, 2014, 10:01

Title: the method of calculating the phonon
Post by: Roc 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.

Title: Re: the method of calculating the phonon
Post by: Anders Blom on January 22, 2014, 16:26

Frozen phonons