QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: NW on September 10, 2019, 12:50

Title: Phonon bandstructure
Post by: NW on September 10, 2019, 12:50

Hello,

I am looking to find a way to reducing RAM occupation when I am running Phonon bandstructure calculation. I access 100Gb RAM, however when I run my simulation I got an error related to shortage of RAM capacity.
I changed the parameters in my input script but still I need to find a way to reduce RAM occupation. If it is possible, please let me know how I can modify the Dynamical Matrix block for possible performance on my computer. I used DFT for my aim in ATK 2019.3.

Thanks for your support.

Title: Re: Phonon bandstructure
Post by: Petr Khomyakov on September 16, 2019, 14:02

Could you post your script and log file to see what could be done about it?