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GW approximation


Chronological Thread 
  • From: pengyoucool@yahoo.com.cn
  • To: forum@abinit.org
  • Subject: GW approximation
  • Date: Fri, 16 Mar 2007 08:48:31 +0100

Dear users,
Thank you for your attention.
I have calculated the band of my compound with full potential in LAPW
method.It is a semiconductor,not metallic. I think there should not be
any difference between full potential method and the pseudo potential method
about the special k points in the gap.So I work with GW correction in the gap
directly. If I'm wrong ,any comments will be appreciated.
What'more,I don't know how the two parameters "occopt" and "tsmear" work
for their purposes.I didn't find out any informations about them in the input
file tgw_1.in.
Appreciate your help in advance.



yours,
Peng



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