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[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Vivek,

In principle, geometry optimization for solids under electric field works.

It is mentioned very briefly at the end of the tutorial on non-linear response,

with an example file :

Redoing the same kind of finite field calculation when allowing to the ions to relax 

(using the input file ~abinit/tests/tutorial/Input/tffield_7.in) you can access the 

relaxed ion proper piezoelectric constant. At ecut=5 the result is -0.03259.

Xavier

On 14 Jul 2006, at 00:18, vranjan@ncsu.edu wrote:

Hi !

I would like to know if it is possible to carry geometry optimization for solids 

under electric field using abinit ? For example, can we optimize geometry for PbTiO3 with five atoms unit cell under finite electric field ? Bith atomic and cell relaxation. 

Thank you