[Pw_forum] Reflectivity data from epsi.dat or epsr.dat

[H.Y Geoffrey Tse]

As far as I know, 'epsi.dat' represents the absorption (imaginary), while 'epsr.dat' the reflectivity (real part).
you will need to run an SCF calculations first, then use the save files and the dump files from the previous calculations to run epsilon.x calculation. 
I have an example file for bulk ZnO.
after you obtained the .dat file, you could use then Origin to obtain the plot.

Geoffrey
Peking Univeristy, China
-----原始邮件-----
发件人:"Winfred Mulwa" <mulwawinfred at gmail.com>
发送时间:2015-04-18 15:36:37 (星期六)
收件人: "PWSCF Forum" <pw_forum at pwscf.org>
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主题: [Pw_forum] Reflectivity data from epsi.dat or epsr.dat


Dear all,

Please somebody to help me. How do i get the reflectivity data

from epsi.dat or epsr.dat after executing epsilon.x

Regards

Mulwa Winfred.
D Phil Student, Computational Material Science Group,
University of the Free State - QwaQwa,

South Africa.
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