QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: Manish95 on September 3, 2018, 15:50
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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
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For band structure calculations, it is not necessary.