[QE-users] Why I can't compute the optical properties of my supercell?

[NAIMI SALMA]

Dear Paolo,

If you mean "Estimated total dynamical RAM >    1072.11 GB" , unfortunately I don't have that. Is it necessary to have that much RAM for my calculation to be done?

Kind regards,
________________________________
From: Paolo Giannozzi <paolo.giannozzi at uniud.it>
Sent: Tuesday, September 12, 2023 4:02 PM
To: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>; NAIMI SALMA <salma_naimi at um5.ac.ma>
Subject: Re: [QE-users] Why I can't compute the optical properties of my supercell?

"Exactly", hard to tell, but I would have a look at the estimated memory
for your run: do you have that much memory available?

Paolo

On 9/12/23 16:25, NAIMI SALMA wrote:
> Dear experts,
>
> I'm trying to simulate the optical properties of a supercell, but after
> some time from running the calculation, the simulation stops suddenly.
>
>   I attached my input and output in a zip file. Could you please help me
> figure out what's the problem exactly?
>
> Kind regards,

--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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