[Pw_forum] Re: How to determine the thickness in surface phonons calculation?

[英利 牛]

Prof Nicola,
  Thank you! Thank you very much!!!
  And thanks a lot for Dr.Claudia Bungaro's PhD paper.
  Now I kown how to insert the bulk constants in to
the slab.
  One more question, I want to calculate the el-ph
interaction of a metal surface next step. If I use a
normal method in pwscf, I will get interaction between
all phonons(surface+resonance+bulk) and all
electrons(surface+resonance+bulk).If I want to analyse
the el-ph interaction at surface, should I selected
the surface phonons and surface electrons out? Does it
means that I should modify the pwscf source files? May
I specify the phonon mode of some special q point,
then calculate the lamda(q,v) with the surface
electrons?
  Are there any articles about these?
Thanks
Best regards

Yingli Niu
 
>>     Can anyone tell me the details about insertion
>> skills? 

>Have a look at Claudia Bungaro's PhD:
>http://www.sissa.it/cm/phd.php#1995




		
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