[QE-users] Semi-conductor Calculations

Vipul Shivaji Ghemud vipul at physics.unipune.ac.in
Sat Jan 11 11:53:22 CET 2020


I have a semiconductor system which shows conducting nature with GGA
calculations and shows a band gap with HSE06 (as expected). Which
calculations can I perform to study the system to compare with
experimental findings? I am facing limitations as many of the QE
calculations are not compatible with HSE06. Can any one please suggest the
calculations and properties that can be studied in the above mentioned
case.


-- 
Vipul S. Ghemud
Ph.D. student.
Dept of Physics,
SPPU, Ganeshkhind,
Pune- 411007.



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