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. _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
