String Calculation Visualisation of Images

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String Calculation Visualisation of Images

Postby woffermans » Thu Jan 10, 2019 10:12 am

Dear ABINIT friends,

There is a nice tutorial about a STRING calculation https://www.abinit.org/sites/default/fi ... tring.html

Unfortunately, the tutorial does not mention how to visualise the images and even better the evolution of the ``string of images`` during the optimisation. This is a big deficit to my opinion.

If I run a STRING calculation, several *_IMG* files are generated, for example pdo_IMG5_GSR.nc. It is not clear how to extract the ion positions out of this file.

Can someone give me a hint on how to achieve the visualisation of the generated images?

Even better, can the tutorial be updated with this information? A link to another source would already be sufficient.
woffermans
 
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