ABINIT Discussion Forums

Greetings,

I am trying to apply the GW tutorial to graphene as practice for the GW calculations. In following the tutorial at
http://www.abinit.org/documentation/helpfiles/for-v6.2/tutorial/lesson_gw1.html
Section 2, I am attempting to adapt tgw1_2.in for my graphene system. However, I receive the error
"hdr_vs_dtset : WARNING - Mismatch in nkpt" in the log file. I am attaching the input file and log file. Can anyone offer any insight to what I am missing?

Thanks
Jeff Mullen
NCSU Physics

P.S. I had to compress the log file and rename it in order to get it added as an attachment. If you need to see the log, rename it to log.in.gz and gunzip it.

Dear Jeff,

You can add the following parameters.

kptopt3 1
ngkpt3 1 1 1
nshiftk3 1
shiftk3 0 0 0

Sincerely,
Guangfu Luo