[QE-users] How to decide q1, q2, and q3?? turbo_eels.x

Akhil g.nair akhilg.nair at yahoo.in
Tue Sep 5 07:12:47 CEST 2023


Dear Sir/Madam,
Please help me decide how we should fix the q1, q2, and q3 of the transferred momentum Q while using turbo_eels.x? I know that it should be in units of 2pi/a. So, in that case, whether q1 = 2pi/a, q2 = 2pi/b, and q3 = 2pi/c? And a, b, and c should be angstroms or alat units???


RegardsAkhilHBNI, India
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