[QE-users] Can phonon calculations be done on a GPU?

[半城烟沙]

Dear,
Thank you. I got it.





 




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From:                                                                                                                        "Quantum ESPRESSO users Forum"                                                                                    <icarnimeo at sissa.it>;
Date: Mon, Sep 8, 2025 02:37 PM
To: "users at lists.quantum-espresso.org"<users at lists.quantum-espresso.org>;

Subject: Re: [QE-users] Can phonon calculations be done on a GPU?



  Yes, 
  both PHonon and TD-DFPT (turbo_davidson, turbo_eels, turbo_lanczos) are available on NVIDIA GPU (details here: J. Chem. Theory Comput. 2023, 19, 20, 6992–7006)
  
 
  IC
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