[Pw_forum] optimize the geometry

Q.J.Wang wangqj1 at 126.com
Sun Nov 1 14:55:45 CET 2009

Dear pwscf users 
     I want to caculate ferroelectic properties of BaTiO3 under finite electric field. Is it necessary to optimize the geometry with lefield =.ture. ?
Any advice will be appreciated .


Best regards
XiangTan University 
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