[Pw_forum] possibility of relax calculations with saw-tooth potentials (tefield)
rajdeep.jzs at gmail.com
Mon Apr 28 20:04:39 CEST 2014
Dear Sclauzero Gabriele,
thank you very much for your
suggestion. If I may I'd like to ask another question:
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?
1. start with the optimized structure and relax it under the electric field
2. use the relax structure to do scf, nscf and dos.
Thanks in advance.
(Ph. D. student)
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