[QE-users] Modifying the NSX?

[Pietro Delugas]

you need to modify line 16 in Modules/parameters.f90 and set ntypx to 15 
or larger and recompile.

no issue in doing this, maybe some memory issue if the the number is too 
large, but 15 should not.

regards - Pietro

On 27/07/20 21:06, Stephen Zhang wrote:
> Hi everyone,
>
> I'm trying to do a relaxation calculations with 15 atom types, 
> however, I run into the error
>
> ntyp too large, increase NSX
>
> I understand you have to change the error condition to to be larger 
> than 10 and recompile QE in order to avoid this error and run the 
> calculation. However are there any issues with doing this? Why did the 
> developers set the NSX to be 10 atoms in the first place?
>
> Thank you,
> Stephen
>
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