Author Topic: MoS2 orientation for band structure  (Read 235 times)

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Offline Manish95

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MoS2 orientation for band structure
« on: September 3, 2018, 15:50 »
If i am doing only band structure calculation, is it necessary to align the z direction in MoS2 plane?
I am referring to step 3 in Geometry for MoS2, https://docs.quantumwise.com/tutorials/transmission_gr_mos2/transmission_gr_mos2.html

Offline Petr Khomyakov

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Re: MoS2 orientation for band structure
« Reply #1 on: September 4, 2018, 10:50 »
For band structure calculations, it is not necessary.