Issue in MoS2 GW BandGap

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Agathyan Barathi

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Sep 2, 2025, 8:15:20 AMSep 2

to BerkeleyGW Help

Dear all,

I have performed GW Calculation for MoS2 from 20 bands to 141 bands. I did the interpolation via inteqp. I am gettingkinks as shown in below band structure. Kindly clarify me why such kinks appear and how to avoid them. For your reference, herewith I am attaching my inputs.

Thanks in advance