[Wien] nnn too small

afiq radzwan afiqradzwan1992 at gmail.com
Wed Aug 2 13:35:29 CEST 2017


Dear WIEN2K users,I am running wien2K version 13 on a 32-core machine.I
have problem with initialization after constructing supercell. I am trying
to increase the unit cell up to 6 unit in z direction  and I got these on
my terminal for x nn:

specify nn-bondlength factor: (usually=2) [and optionally dlimit, dstmax
(about
  1.d-5, 20)]
2
 DSTMAX:   236.739035100000
 iix,iiy,iiz          12          33           2   264.097296000000
   246.526698000000        426.556820000000
 nnn too small
0.0u 0.0s 0:01.32 0.0% 0+0k 0+40io 0pf+0w


But everything is okay with 5 unit cell. Is it an error? and how to fix it?


I have SEARCHED the archives AND READ THE USERS GUIDE and the FAQ pages,
but I couldn't solve my problem.


Thanks and regards


Afiq Radzwan,
Doctor of philosophy(Physics) candidate
Department of Physics,
Faculty of Science,
Universiti Teknologi Malaysia,
81310 UTM Johor Bahru, JOHOR,
Malaysia <+60%2011-1210%208576>
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