[Pw_forum] Fw: Question on epsilon.x in PWSCF

[plgong]

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发件人: plgong <plgong at theory.issp.ac.cn>
发送时间: 2014年11月2日 星期日
收件人: pw_forum <pw_forum at pwscf.org>
抄送: 
主题: Question on epsilon.x in PWSCF

Dear PWscf users,
     Recently, I want to calculate the dielectric tensor of monolayer graphene, but I get something wrong.
     As I know, real part of epsilon for graphene is about 4 at phono energy of 0 eV, but I get a negtive number (see epsr.dat) using epsilon.x. Additionly, imaginary part of epsilon should close to zero when phono frequency is 0. However, I can not get a reasonable value. 
     Secondly, I notice that one should check the sampling for fermi surface in the the eps_man.pdf manul. But I do not know how to plot it and what it implies.
     Lastly, I have a question on the the real and imaginary parts of the dielectric tensor diagonal compo-
nents in file epsi.dat or epsr.dat. I think eps_x sholuld equal to eps_y due to symmtery restriction, but 
the calculated results show obvious difference between them at certain energy. 
      Please help me as your free time. If you have some examples on epslion.x, it sounds like good.

Truely
PL Gong
ISSP, CAS, HeFei, China




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Addr: Institute of Solid State Physics, Chinese Academy of 
Sciences, Hefei, Anhui 230031, China
Tel: +86-551-65591591(office), 18756086113(cell phone)
Email: plgong at theory.issp.ac.cn
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--

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Addr: Institute of Solid State Physics, Chinese Academy of 
Sciences, Hefei, Anhui 230031, China
Tel: +86-551-65591591(office), 18756086113(cell phone)
Email: plgong at theory.issp.ac.cn
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