QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Manish95 on September 3, 2018, 15:50

Title: MoS2 orientation for band structure
Post by: Manish95 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
Title: Re: MoS2 orientation for band structure
Post by: Petr Khomyakov on September 4, 2018, 10:50
For band structure calculations, it is not necessary.