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Metainfo section_method.smearing_width is unit less #19

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ondracka opened this issue May 27, 2021 · 1 comment
Open

Metainfo section_method.smearing_width is unit less #19

ondracka opened this issue May 27, 2021 · 1 comment
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@ondracka
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The description claims 'Specifies the width of the smearing in energy for the electron occupation used to calculate the free energy (see energy_free).', so this implies the units should be Joule, but it is unit less currently.
@ondracka ondracka mentioned this issue Jun 9, 2021
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ondracka added a commit to ondracka/workflow-parsers that referenced this issue Aug 2, 2022
@ondracka
Smearing width is in Rydberg units
609e28e 
The metainfo still defines is as a unitless quantity though, so just
convert the value: nomad-coe/nomad#19
@JosePizarro3
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I think the new schema also handles this properly. We have a class called Smearing, which contains threshold and threshold_unit.

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@markus1978 @ondracka @JosePizarro3