Re: [QE-users] Choice of awin for average.x calculations

2022-01-21 Thread Lorenzo Paulatto
Hello,
I do not have an answer to your question, I have never used average.x.

However, when there is a parameter I need to choose, this is my procedure:
identify a physical range of values

try a few values in between

compare to see if it makes any difference
and if necessary:

try to understand the differences, which applies to my case

hth
--
Lorenzo Paulatto - Paris
On Jan 21 2022, at 4:02 pm, Anson Thomas  wrote:
> Dear QE Users,
>
> I have a general (and maybe naive) question to ask. What value should we 
> choose for awin for average.x calculations?
> Any insights on this would be appreciated.
>
> Thank you
>
>
> --
> Anson Thomas
> M.Sc. Chemistry, IIT Roorkee
>
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> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users@lists.quantum-espresso.org
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[QE-users] Choice of awin for average.x calculations

2022-01-21 Thread Anson Thomas
Dear QE Users,

I have a general (and maybe naive) question to ask. What value should we
choose for awin for average.x calculations?
Any insights on this would be appreciated.

Thank you


-- 
*Anson Thomas*
M.Sc. Chemistry, IIT Roorkee
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