[QE-users] Fermi-Surface Nesting

[Ramesh Kumar Kamadurai]

Dear All
I am writing to get some clarification about the nesting of the Fermi
surface. Since the FS geometry looks complex, I need help understanding it
correctly. Sorry for asking non-QE-related question. I have calculated the
Fermi surface for a conventional cell and projected it onto the primitive
cell. When examining a slice along the 110 direction, I noticed two
parallel lines at the boundary's edge. Further in the phonon calculation, I
observed phonon softening (imaginary frequency) at the same M point. Is
there a connection between this stitching of surfaces on the Fermi surface
and the observed phonon softening, and finally, is there a nesting? I am
attaching the relevant pictures. Thanks in advance for your suggestion.

 Best regards,

K. Ramesh Kumar

 Assistant Professor

Gandhi Institute of Technology and Management,

 Phone: +91 9895637981, +1 6782419790

Email: kraamesh57 at gmail.com rkamadur at gitam.edu
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