[Pw_forum] Re : electro-optic properties

[dev sharma]

Hi 2 All,
i have sent this mail some days ago but i didnt  get any reply from the
forum . Please have a look on my question and advice.
Thanks in advance,
Take care,
Dev sharma,
University of Delhi,

I want to know that can we calculate the dielectric constant , electro-optic
coefficient as a function of external electric field. Like if i want to
increase electric field in Z direction gradually , what is change in
dielectric constant , electro optic properties and non linear optical
properties???? which parameters to apply ?? which inputs to be added ???

Sir what i think, i have to do the following things

1) Scf with these extra parameters

tefield=.true.,

edir = 3 (Z dierection)
emaxpos= 0.5D0,(it means that electric field is maximum at c/2 where c
is the lattice constant along z axis)

eopreg=0.1D0 (I dident get the Zone meaning)
eamp= 1.9 *(10 raise to power -15) V/m,( only this electric field i
have to vary and calculate optical properties at diffrent values)

2) pw.x with calculation =phonon with above same parameters

3) Ph.x (phonon at gamma)

Please advice,
Thanks,
Take care
Dev Sharma,
Univeristy of Delhi
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