Author Topic: InSe K point  (Read 2982 times)

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Offline Sam Rice

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InSe K point
« on: September 25, 2017, 20:49 »
Dear all,
I tried to create 3*3 InSe nanosheet(unitcell is attached ), but when I put the structure for relaxation, I need a lot of time (more than 8hours),  I changed K and  I realized that the main reason is K(reduced until 5 hours), but unfortunately I could not find the suitable k for this structure.please help me, I attached my structure

Offline Ulrik G. Vej-Hansen

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Re: InSe K point
« Reply #1 on: September 26, 2017, 09:18 »
The only way to figure out how many k-points you need is to test how the properties, which you are of interest to you, converge with respect to k-points.