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Author Topic: Can ATK calculated the complex band structure of a material  (Read 12470 times)

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Offline Derek Stewart

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Can ATK calculated the complex band structure of a material
« on: February 24, 2009, 15:24 »
Hi all,

I was wondering if it was possible for ATK to calculate the complex band structure of a bulk material in a given direction? 

Thanks,

Derek
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Offline Anders Blom

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Re: Can ATK calculated the complex band structure of a material
« Reply #1 on: February 27, 2009, 13:01 »
Update: Yes, you can!

Old answer: Actually, there is, sort of, internal support for it, but it is not in any way exposed to the user. It's something we can look into for the future, if users will find it important. I have made a note of it :)
« Last Edit: September 4, 2012, 11:14 by Anders Blom »
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Offline nanoseer

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Re: Can ATK calculated the complex band structure of a material
« Reply #2 on: May 11, 2009, 08:56 »
I hope the function could be added.
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Offline Anders Blom

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Re: Can ATK calculated the complex band structure of a material
« Reply #3 on: September 4, 2012, 11:13 »
Very old post - but this functionality has indeed been added to ATK now!
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