[QE-users] Finding Extremal Areas in Fermi Surface

Stephen Zhang lolzen at berkeley.edu
Mon Sep 14 00:06:49 CEST 2020


Hi Everyone!

I've recently ran a few of my first fermi surface calculations for the
crystal La(SiIr)2, but in order to compare it to experimental data (landau
oscillations of the physical crystal), I need to find regions where dS/dn
is zero, where n is the k-space vector of the magnetic field and S is the
area of loop that is perpendicular to the vector n. I wanted to ask if
there was a program in xcrysden or in quantum espresso that could help me
find these loops for an arbitrary n. For example, if I had a cylinder for a
fermi surface that was aligned along the z-axis, and my vector n was
parallel to the z-axis, then I would have infinitely many loops
perpendicular to n where dS/dn=0.

Thank you!
Stephen


-- 
*University of California, Berkeley*
*Department of Letter and Sciences*
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