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siesta-project / aiida_siesta_plugin

Source code for the AiiDA-Siesta package (plugin and workflows). See wiki
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Examples review #16

Closed bosonie closed 5 years ago

bosonie commented 6 years ago

I tried to put more comments to make the user understand better what's going on. I also moved parts of the code to create something more sequential (for instance all the parts related to the pseudo choice are now close to each others). We use SeeK-path for automatic k point path generation.

albgar commented 5 years ago

Thanks, Emanuele. I have merged your branch.