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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