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- Tue Sep 02, 2014 7:29 pm
- Forum: Ground state
- Topic: Constant electric polarization + geometry relaxation
- Replies: 0
- Views: 2197
Constant electric polarization + geometry relaxation
Dear ABINIT forum, I am trying to perform a cell + ionic geometry relaxation for lead titanate using a constant polarization constraint. The input file is as follows: # Lead titanate : preparation for constant polarization relaxation # #Finite field and polarization variables dfield 3*0.0 berryopt 6...