Dear Zhang, Thanks for your joining into the discuss. Can you give some literatures on how to calculate the dielectric function based on the polarizability of a cluster system? And do you know the unit of the data in Systemlabel.EPSIMG?
I think, in siesta, the dielectric function is calculated using the fomula of polarizability, not a weighted averge. With best regards. Guangping 2014-03-26 发件人：Pu ZHANG <[email protected]> 发送时间：2014-03-26 15:39 主题：Re: [SIESTA-L] dielectric function in SIESTA 收件人："siesta-l"<[email protected]> 抄送： Hi, Guangping In general, polarizability is weighted average of dielectric function over the whole object under study. I'm not familiar with SIESTA per se, but I don't think dielectric function is a simple data structure to easily store and output, so I guess probably you are right about the Systemlabel.EPSIMG. Best regards, Pu Zhang -- Postdoc The group of Structured Electromagnetic Materials Department of Photonics Engineering Technical University of Denmark Ørsteds Plads, Building 345v, 166 2800, Kgs. Lyngby E-mail: [email protected] Homepage: http://www.dtu.dk/Service/Telefonbog/Person?id=91944&tab=0 Phone: 45 25 36 43 Fax: 45 93 65 81 On Wed, Mar 26, 2014 at 3:00 PM, zgp121 <[email protected]> wrote: Dear all, Can anyone tell me the relationship between the dielectric function and the polarizability for the molecular system in SIESTA code? I think the data stored in Systemlabel.EPSIMG is the frequency-dependent polarizability not dielectric function. Or can someone give some formula used in SIETA optical calculation. I can not find the explicit documented relationship between the dielectric function and polarizability in SIESTA. Thanks in advance. Guangping 2014-03-26
