Skip to Content.
Sympa Menu

forum - need help in GW calculation

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

need help in GW calculation


Chronological Thread 
  • 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



Archive powered by MHonArc 2.6.16.

Top of Page