[QE-users] Modifying the NSX?

Stephen Zhang lolzen at berkeley.edu
Mon Jul 27 21:06:14 CEST 2020


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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