[QE-users] Are my supercell 'vc-relax' calculations seem to run correctly?

[Paolo Giannozzi]

It's a rather large calculation:  200k plane waves, 20 k-points, 42 Gb 
total memory. If you have less than 42 Gb physical RAM in your machine, 
the calculation can take forever

Paolo

On 3/8/23 13:01, NAIMI SALMA wrote:
> I want to dope my material. So I created a 2*2*2 supercell then I  used 
> a vc-relax to optimize the supercell. It`s been more than one day and 
> the calculations still didn't complete. Is that normal?
>   I attached my input and output file (The calculations are still 
> running so I coppied what's in the output file till now)
> 
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-- 
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