# Calculating bandstructure of graphene

**URL:** <https://discourse.julialang.org/t/calculating-bandstructure-of-graphene/13766>\
**Category:** Modelling & Simulations\
**Created:** [August 20, 2018, 3:26pm UTC](https://discourse.julialang.org/t/calculating-bandstructure-of-graphene/13766 "2018-08-20T15:26:38Z")\
**Posts on this page:** 5\
**Page:** 2

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**Author:** ![f-fathurrahman](https://sea2.discourse-cdn.com/julialang/user_avatar/discourse.julialang.org/f-fathurrahman/32/8847_2.png) [@f-fathurrahman](https://discourse.julialang.org/u/f-fathurrahman)\
**Post date:** [August 22, 2018, 4:44pm UTC](https://discourse.julialang.org/t/calculating-bandstructure-of-graphene/13766/23 "2018-08-22T16:44:49Z")

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Unfortunately parallelization is not yet implemented.

Probably the easiest one is to use DistributedArrays.jl for parallelization over kpoints and Kohn-Sham states.

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**Author:** ![ckoe-bccms](https://sea2.discourse-cdn.com/julialang/user_avatar/discourse.julialang.org/ckoe-bccms/32/1816_2.png) [@ckoe-bccms](https://discourse.julialang.org/u/ckoe-bccms)\
**Post date:** [August 22, 2018, 5:12pm UTC](https://discourse.julialang.org/t/calculating-bandstructure-of-graphene/13766/24 "2018-08-22T17:12:47Z")

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> [@f-fathurrahman](#):
>
> Unfortunately parallelization is not yet implemented.

I wish you all the best, regardless what you do this will be a lot of hard work on top of the amount of work you already did to get it working so far. I will certainly keep an eye open for this project.

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**Author:** ![Janis\_Erdmanis](https://sea2.discourse-cdn.com/julialang/user_avatar/discourse.julialang.org/janis_erdmanis/32/10869_2.png) [@Janis\_Erdmanis](https://discourse.julialang.org/u/Janis_Erdmanis)\
**Post date:** [August 22, 2018, 7:19pm UTC](https://discourse.julialang.org/t/calculating-bandstructure-of-graphene/13766/25 "2018-08-22T19:19:27Z")

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Thank you 🙂 In the meantime I found another paper where I was able to see additional two higher bands which seems to be enough for pointing out an example of possibility to realize Dirac exciton (with a very rough assumptions and estimations). I will certainly play around with it to get a feeling what it takes to make a band structure calculation and to actually understand what actually happened in this thread 😃

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**Author:** ![ckoe-bccms](https://sea2.discourse-cdn.com/julialang/user_avatar/discourse.julialang.org/ckoe-bccms/32/1816_2.png) [@ckoe-bccms](https://discourse.julialang.org/u/ckoe-bccms)\
**Post date:** [August 22, 2018, 7:25pm UTC](https://discourse.julialang.org/t/calculating-bandstructure-of-graphene/13766/26 "2018-08-22T19:25:48Z")

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> [@Janis\_Erdmanis](#):
>
> and to actually understand what actually happened in this thread

Do not worry too much, I derailed it a bit by accident if you mean that. Sorry.

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**Author:** ![Janis\_Erdmanis](https://sea2.discourse-cdn.com/julialang/user_avatar/discourse.julialang.org/janis_erdmanis/32/10869_2.png) [@Janis\_Erdmanis](https://discourse.julialang.org/u/Janis_Erdmanis)\
**Post date:** [August 22, 2018, 8:38pm UTC](https://discourse.julialang.org/t/calculating-bandstructure-of-graphene/13766/27 "2018-08-22T20:38:02Z")

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The discussion is rather interesting and lively. I get to see why such calculations are hard and I get to know more about parallel computing with which I like to experiment on my local university cluster. And it is satisfying/inspiring to see that so many are actively working on solvers even for such a specialized domain 😉

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