Author Topic: EffectiveBandstructure with Spin-Orbit?  (Read 3579 times)

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Offline asanchez

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EffectiveBandstructure with Spin-Orbit?
« on: August 31, 2017, 13:02 »
Hi all,

I've tried calculating an EffectiveBandstructure using a Noncollinear Spin-Orbit calculator and I get the following error:

"ValueError: shapes (200,200) and (400,) not aligned: 200 (dim 1) != 400 (dim 0)"

Was it never intended to work with NC-SO? or is it just broken?

Thanks for your help!


Offline Anders Blom

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Re: EffectiveBandstructure with Spin-Orbit?
« Reply #1 on: August 31, 2017, 17:59 »
Seems more like the former, but the software should at least have been aware of it and provided a good error message. We'll take it up as a bug, however the short-term solution might just be to add the error message. We'll check how hard it is to add support for NC-SO in this analysis module.

Offline asanchez

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Re: EffectiveBandstructure with Spin-Orbit?
« Reply #2 on: August 31, 2017, 18:13 »
Great! Thanks :)