Dear sir,<br> Thank you very much sir. The dielectric constant we can even found by phonon also. 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 ??? <br>
Thanks,<br>Take care,<br>Dev Sharma,<br>University of Delhi,<br>India<br><br><div class="gmail_quote">On Mon, Sep 28, 2009 at 1:11 AM, Emine Kucukbenli <span dir="ltr"><<a href="mailto:kucukben@sissa.it">kucukben@sissa.it</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Dear Dev,<br>
I also have never used this feature of the code but Doc directory has<br>
useful documents when you need answers: Doc/eps_man.tex<br>
It is clearly stated there that "the non-local contribution due to the<br>
pseudopotential is neglected. Actually the correction to the matrix<br>
element that take into account the non-local part of the Hamiltonian<br>
is not implemented."<br>
So to develop the code for USPP you need to find a way to calculate &<br>
add these corrections, I guess. You can check epsilon.f90 to learn<br>
more..<br>
emine kucukbenli, Sissa, Italy<br>
<br>
<br>
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