The ABINIT Users Mailing List ( CLOSED )

["Aldo Humberto Romero" <aromero@qro.cinvestav.mx>]

Just adding a bit to what clearly Joe is explaining, you should
include the keyword  prtvol 1, such that in case the
list is too large, you have all K points...

-aldo.


-> 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
->>
->> ________________________________
->> 立刻下载 MSN 保护盾，保障Messenger 安全稳定！ 现在就下载！
->
->
->
-> --
-> 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
->


-- 

Prof. Aldo Humberto Romero
CINVESTAV-Unidad Queretaro
Libramiento Norponiente 2000
CP 76230, Queretaro, QRO, Mexico
tel: 442 211 9909
fax: 442 211 9938

email: aromero@qro.cinvestav.mx
        aldorome@gmail.com
www: qro.cinvestav.mx/~aromero