Dear Sohail,
Your issue is addressed in a number of standard EM texts, but you may want to have a look at my 1965 PhD thesis on the optical properties of thin germanium films which contains all the relevant algebra, "in reverse," that is, obtaining the dielectric constants from experimental optical measurements. Click here <http://w2agz.com/Personal%20Academic%20Material/Harvard/PhD%20Thesis/The%20 Optical%20Properties%20of%20Thin%20Germanium%20Films,%20AD%20619%20071%202.p df> to download from my website (I believe the Forum supports imbedded html hyperlinks, if not I'll e-mail it to you). Note that you are dealing with a monolayer film, well under the penetration depth of a bulk system, and this is "complicated" but dealt with in my thesis. Also note all this is quite classical and independent of what flavor DFT formalism you employ to generate epsilon. Good Luck, -Paul Paul Michael Grant, PhD Physicist and Science Writer Senior Life Fellow, American Physical Society Fellow, Institute of Physics, United Kingdom APS Distinguished Lecturer on Applications of Physics (2014-15) Staff Associate, Jet Propulsion Laboratory, NASA (2011-15) Visiting Scholar, Applied Physics, Stanford (2005-2008) EPRI Science Fellow (Retired) IBM Research Staff Member/Manager Emeritus Principal, W2AGZ Technologies <mailto:[email protected]> [email protected] <http://www.w2agz.com/> http://www.w2agz.com -----Original Message----- From: [email protected] [mailto:[email protected]] On Behalf Of Sohail Ahmad Sent: Friday, January 30, 2015 7:48 AM To: Plane Wave Subject: [Pw_forum] optical properties Dear All I wish to calculate optical properties of mono layer of Transition metal di chalcogenides. I believe i have to use TDDFPT i successfully used epsilon.x to calculate imaginary and real part of dielectric function. My question is how to calculate refractive index, Refelectivity, Absorption coefficient etc ? can anybody send me the link mentioning step by step or any one would like to share his experience > Best Wishes Sohail King Khalid University Saudi Arabia _______________________________________________ Pw_forum mailing list <mailto:[email protected]> [email protected] <http://pwscf.org/mailman/listinfo/pw_forum> http://pwscf.org/mailman/listinfo/pw_forum
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