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Author Topic: Bandstructure parameters  (Read 2392 times)

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Offline Abdullah Fatih

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Bandstructure parameters
« on: March 22, 2016, 21:52 »
Hi,

In the bandstructure screen, I choose the "Bands above Fermi level" option as a 20.  But in the results file, I see that the 400 band (200 spin up, 200 spin down).

How can I do that?
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Offline Jess Wellendorff

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Re: Bandstructure parameters
« Reply #1 on: March 23, 2016, 09:38 »
Could you provide the script used for the calculations?
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Offline Abdullah Fatih

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Re: Bandstructure parameters
« Reply #2 on: March 23, 2016, 20:35 »
Ok. You can find it in the attachments.
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Offline Anders Blom

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Re: Bandstructure parameters
« Reply #3 on: March 24, 2016, 02:14 »
Which version? Script seems a bit old, like for ATK 2014?
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Offline Abdullah Fatih

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Re: Bandstructure parameters
« Reply #4 on: March 25, 2016, 23:03 »
Version is 12.2.
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Offline Anders Blom

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Re: Bandstructure parameters
« Reply #5 on: March 28, 2016, 02:30 »
Maybe a bug, but this is an old version, which is not supported anymore.
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