<div dir="ltr"><div><div><div><div><div><div>Dear Sclauzero Gabriele,<br></div> thank you very much for your suggestion. If I may I'd like to ask another question:<br></div>If my structure is already optimized and I want to see the effect of electric field on the band gap then are the following steps correct?<br>
</div>1. start with the optimized structure and relax it under the electric field (using tefield)<br></div>2. use the relax structure to do scf, nscf and dos.<br><br></div> Thanks in advance.<br></div>Rajdeep Banerjee<br>
(Ph. D. student)<br>
JNCASR, Bangalore,<br>
India</div>