Dear QE Users, Is it possible to output the core electron energy with QE? I am hoping to use the core energy as a reference for electronic band shifts as a result of atomic displacement.
Thank you, Vahid Vahid Askarpour Department of physics and atmospheric science Dalhousie University Halifax, NS Canada _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
