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Q: How can i do a variable cell relaxation under the influence of constant field in GPAW?

AtomAs a continuation of my previous question, I would like to do variable cell relaxation of a BaTiO3 unit cell under the influence of a constant electric field. The script I've used is given below: from ase.constraints import ExpCellFilter from gpaw.external import ConstantElectricField from gpaw i...

 

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