[gpaw-users] k-point warning

[Jens Jørgen Mortensen]

Den 22-08-2018 kl. 01:59 skrev Manu Hegde via gpaw-users:
> Hello,
> I am new to GPAW. I was running few examples and I was getting 
> following error,
> "Warning: Showing only first 2 kpts", but calculation went on without 
> any error.

Yes, that is a bit confusing.  You can ignore that warning.  I've now 
removed the "Warning:" part of that sentence in the development version 
of GPAW.

>
> Also I am looking for proper code to relax the atomic coordinates, I 
> could not find one in the tutorials. I just want to see the 
> convergence on GPAW as I use quantum espresso to fully relax the 
> lattice using PAW pseudpotentials.

See examples here:

     https://wiki.fysik.dtu.dk/ase/ase/optimize.html

Jens Jørgen

>
> Thanks,
> Manu
> SFU, Canada
>
>
>
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