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- From: pengyoucool@yahoo.com.cn
- To: forum@abinit.org
- Subject: need help in GW calculation
- Date: Sun, 11 Mar 2007 07:24:34 +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?
On the other hand,in the GW's tests in the tutorial,what is the difference
between lesson1 and lesson9?If I adjust the parameters,whether can I use
tgw_1.in
as my input file?
I need your help.Look forward to your reply.Thank you in advance.
yours,
Friend
- need help in GW calculation, pengyoucool, 03/11/2007
- Re: [abinit-forum] need help in GW calculation, Fabien Bruneval, 03/12/2007
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