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Re: [abinit-forum] electron phonon analysis of a semiconductor


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  • From: Z_Lin <applelinux@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] electron phonon analysis of a semiconductor
  • Date: Mon, 18 Feb 2008 19:57:58 +0300
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Hello!

>The right way to go would
> be to return to T dependent equations, and I believe a f_nk(1-f_nk) comes
> out, which is just the FD smearing function up to a factor.
Do you have the reference to these equations? It would be quite
interesting for me.

>To be checked,
> but this could indeed be read in from the GS run (in that case you impose
> the elphon smearing width to be the GS T, which is fine but not flexible
> if you want to change the width in elphon).
If I remember correctly, the conductivity calculation
(conduciti_nc.F90) did this type of calculations by reading the occ()
from previous run.

Zhibin



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