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</o:shapelayout></xml><![endif]--></head><body lang=EN-US link=blue vlink=purple><div class=WordSection1><p class=MsoPlainText>Dear Sohail,<o:p></o:p></p><p class=MsoPlainText><o:p> </o:p></p><p class=MsoPlainText>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 <a href="http://w2agz.com/Personal%20Academic%20Material/Harvard/PhD%20Thesis/The%20Optical%20Properties%20of%20Thin%20Germanium%20Films,%20AD%20619%20071%202.pdf">here</a> 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.<o:p></o:p></p><p class=MsoPlainText><o:p> </o:p></p><p class=MsoPlainText>Good Luck, -Paul<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><b><i><span style='font-size:13.5pt;font-family:"Comic Sans MS";color:#1F497D'>Paul Michael Grant, PhD</span></i></b><b><i><span style='font-size:13.5pt;font-family:"Comic Sans MS";color:#1F497D'><o:p></o:p></span></i></b></p><p class=MsoNormal><b><i><span style='font-family:"Comic Sans MS";color:#1F497D'>Physicist and Science Writer<o:p></o:p></span></i></b></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>Senior Life Fellow, American Physical Society<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>Fellow, Institute of Physics, United Kingdom<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>APS Distinguished Lecturer on Applications of Physics (2014-15) <o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>Staff Associate, Jet Propulsion Laboratory, NASA (2011-15)</span></b><span style='color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>Visiting Scholar, Applied Physics, Stanford (2005-2008)</span></b><span style='color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>EPRI Science Fellow (Retired)</span></b><span style='color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>IBM Research Staff Member/Manager Emeritus</span></b><span style='color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'>Principal, W2AGZ Technologies<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'><a href="mailto:w2agz@w2agz.com"><span style='color:black'>w2agz@w2agz.com</span></a></span></b><span style='color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:#1F497D'><a href="http://www.w2agz.com/"><b><span style='color:black'>http://www.w2agz.com</span></b></a></span><span style='color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><span style='color:#1F497D'> <o:p></o:p></span></p><p class=MsoNormal><span style='color:#1F497D'> <o:p></o:p></span></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoPlainText><o:p> </o:p></p><p class=MsoPlainText><o:p> </o:p></p><p class=MsoPlainText>-----Original Message-----<br>From: pw_forum-bounces@pwscf.org [mailto:pw_forum-bounces@pwscf.org] On Behalf Of Sohail Ahmad<br>Sent: Friday, January 30, 2015 7:48 AM<br>To: Plane Wave<br>Subject: [Pw_forum] optical properties</p><p class=MsoPlainText><o:p> </o:p></p><p class=MsoPlainText>Dear All<o:p></o:p></p><p class=MsoPlainText>I wish to calculate optical properties of mono layer of Transition metal di chalcogenides.<o:p></o:p></p><p class=MsoPlainText>I believe i have to use TDDFPT<o:p></o:p></p><p class=MsoPlainText>i successfully used epsilon.x to calculate imaginary and real part of dielectric function.<o:p></o:p></p><p class=MsoPlainText>My question is <o:p></o:p></p><p class=MsoPlainText>how to calculate refractive index, Refelectivity, Absorption coefficient etc ?<o:p></o:p></p><p class=MsoPlainText>can anybody send me the link mentioning step by step or any one would like to share his experience ><o:p></o:p></p><p class=MsoPlainText><o:p> </o:p></p><p class=MsoPlainText>Best Wishes<o:p></o:p></p><p class=MsoPlainText>Sohail <o:p></o:p></p><p class=MsoPlainText>King Khalid University<o:p></o:p></p><p class=MsoPlainText>Saudi Arabia<o:p></o:p></p><p class=MsoPlainText><o:p> </o:p></p><p class=MsoPlainText><o:p> </o:p></p><p class=MsoPlainText>_______________________________________________<o:p></o:p></p><p class=MsoPlainText>Pw_forum mailing list<o:p></o:p></p><p class=MsoPlainText><a href="mailto:Pw_forum@pwscf.org"><span style='color:windowtext;text-decoration:none'>Pw_forum@pwscf.org</span></a><o:p></o:p></p><p class=MsoPlainText><a href="http://pwscf.org/mailman/listinfo/pw_forum"><span style='color:windowtext;text-decoration:none'>http://pwscf.org/mailman/listinfo/pw_forum</span></a><o:p></o:p></p></div></body></html>