Author Topic: Phonon bandstructure  (Read 44 times)

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Offline NW

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Phonon bandstructure
« 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.
« Last Edit: September 10, 2019, 15:16 by NW »

Online Petr Khomyakov

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Re: Phonon bandstructure
« Reply #1 on: Yesterday at 14:02 »
Could you post your script and log file to see what could be done about it?