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calculation of band_gap in the GW approximation


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  • From: pengyoucool@yahoo.com.cn
  • To: forum@abinit.org
  • Subject: calculation of band_gap in the GW approximation
  • Date: Sun, 11 Mar 2007 03:41:45 +0100

Dear users,
I am a new user in abinit.Nowadays,I'm learning the calculation
of energy band_gap in the GW approximation through the tutorials.The
example in that is Si that is direct band_gap with FCC structure.
I want to learn how to calculate the indirect band_gap.How should
I modify my input file.Besides,if I want to focus on the orthorhombic
structure with space group 62_Pnma,then what the "rprim" in my input
file should be?
I need your help.Look forward to your reply.Thank you in advance.

yours,
Friend


  • calculation of band_gap in the GW approximation, pengyoucool, 03/11/2007

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