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I would need kresolveddos in projwfc. It is extremely useful #17

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cpignedoli opened this issue Oct 17, 2017 · 1 comment
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I would need kresolveddos in projwfc. It is extremely useful #17

cpignedoli opened this issue Oct 17, 2017 · 1 comment

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@cpignedoli
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cpignedoli commented Oct 17, 2017

In the following lines of code


kresolveddos is disabled. Would it be possible to enable it?

this feature is quite useful in QE since it allows, from the data contained in the .xml files that will be produced in the .save directory, to highlight in a bandstructure contributions coming form a specific set of atomic orbitals.

It would be great to allow the feature in AiiDA, I can provide QE examples if needed.

Kind regards

Carlo Pignedoli

@cpignedoli
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I realized this is not at all an issue. When computing the pdos the data contained in the atomic_proj.xml file are kresolved so there is no need to activate the card I was requesting

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