<br><div class="gmail_quote"><br><br><br>Hi 2 All,<br>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. <br>Thanks in advance,<br>Take care,<br>Dev sharma,<br>
University of Delhi,<br><br>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><br>Sir what i think, i have to do the following things<br><br>1) Scf with these extra parameters<br><br>tefield=.true.,<br><pre>edir = 3 (Z dierection)<br>emaxpos= 0.5D0,(it means that electric field is maximum at c/2 where c is the lattice constant along z axis)<br>
eopreg=0.1D0 (I dident get the Zone meaning)<br>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)<br><br>2) pw.x with calculation =phonon with above same parameters<br>
3) Ph.x (phonon at gamma)<br> <br>Please advice,<br>Thanks,<br>Take care<br>Dev Sharma,<br>Univeristy of Delhi<br><br> <br><br> </pre><br><br><br>
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