[Pw_forum] defining Surface in reciprocal-space with crystal_c switch

Riemann Derakhshan riemann.derakhshan at gmail.com
Mon Feb 15 14:39:17 CET 2016


Dear QE developers and Users

I want to calculate the TR polarization on some surface of
reciprocal-space.

For this reason I have to define the desired surface with crystal_c switch.
for example  if I want to  introduce the surface with vertices's

(0,0,0) ,(0,1/2,0),(1/2,0,1/2) and (0,0,1/2) . How can I do this?

Any help is appreciated.

Sincerely Yours

Riemann
-- 
PhD. student of Physics
Physics Department of Damghan University
Tel : +98 938 903 6759
P.O.Box:36716-41167
Damghan, Iran
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