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@sblisesivdin
sblisesivdin authored Oct 13, 2023
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Expand Up @@ -99,9 +99,6 @@ Users must provide an ASE Atoms object and simply insert the object inside these

`optimize_latticeparam.py` can perform simultaneous calculation for lattice parameters a and c. And can also draw 3D contour graph for Energy versus lattice parameters (a and c).

### benchmarks/
GPAW has many test scripts for many cases. However, new users may need something easy to run and compare. Some very easy single-file test scripts will be listed [here](https://github.com/lrgresearch/gpaw-tools/tree/main/benchmarks) with some hardware benchmark information. Your timings are always welcome.

## examples/
There are [some example calculations](https://github.com/lrgresearch/gpaw-tools/tree/main/examples) given with different usage scenarios. Please send us more calculations to include in this folder.

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