QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: GJK on July 14, 2016, 15:19

Title: Phonon calculations-energy minimization-frequency-reg
Post by: GJK on July 14, 2016, 15:19

Hi,

We are running our calculations on 4 MPI process(1 master+3 slaves) using ATK 12.8.2 version.Can we do phonon frequency calculations in this version.If then kindly provide us with the compatible script???

thanks in advance

Title: Re: Phonon calculations-energy minimization-frequency-reg
Post by: Anders Blom on July 14, 2016, 18:52

No this version does not support the computation of phonons. Besides, there is no support for this version anymore.