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Spin-polarized Hamiltonians #16

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zerothi opened this issue Nov 14, 2016 · 2 comments
Closed

Spin-polarized Hamiltonians #16

zerothi opened this issue Nov 14, 2016 · 2 comments
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@zerothi
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zerothi commented Nov 14, 2016

The spin-polarized Hamiltonians should be possible using sisl, however, there are mistakes.

Currently this is easy to bypass as one simply creates two Hamiltonians (spin-polarizations are independent)

@zerothi zerothi modified the milestone: 0.8.0 Nov 15, 2016
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zerothi commented Nov 16, 2016

I have tried a simple work around by checking the def_dim variable, however this has some problems.
I think the only reasonable way is to split the sparse matrix into two components, H and S. Then we may align the patterns.
It has some cost as each sparse pattern will have to run the extend function, but maybe this is OK?
Tests of speed may be needed...

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zerothi commented Jan 7, 2017

This is already fixed, however it will be changed subsequently.

@zerothi zerothi closed this as completed Jan 7, 2017
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