The ABINIT Users Mailing List ( CLOSED )

[Josef Zwanziger <jzwanzig@gmail.com>]

I'm not sure exactly what you are asking for, but here goes...I would
make a run with prtkpt = 1, to get output on a variety of kpt grids
with kptrlen near what you want. Then, input the one you want (by use
of kptrlatt) and run with prtkpt set back to its default of zero. In
the output file, among many other things will be the set of actual
k-points (look under "kpt") used in the calculation.

Joe

2009/5/28 GaoTao <gaotaoscu@hotmail.com>:
> Dear All,
>
> I want to get coordinates for my k-points in the sampling of Monkhorst-Pack
> grid. Would you please tell me which command in ABINIT can control to output
> all these sampling coordinates in BZ? Thanks in advance.
>
> Best,
>
> Tao
>
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-- 
Josef W. Zwanziger
Professor of Chemistry
Canada Research Chair in NMR Studies of Materials
Director, Nuclear Magnetic Resonance Research Resource (NMR-3)
Dalhousie University
Halifax, NS B3H 4J3 Canada
tel: +1 (902) 494-1960
fax: +1 (902) 494-1867
web: http://jwz.chem.dal.ca
jzwanzig@gmail.com, jzwanzig@dal.ca