[Wien] Problem with structure construction
afiq radzwan
afiqradzwan1992 at gmail.com
Tue Feb 21 12:31:02 CET 2017
Dear WIEN2K users,
I am running wien2K version 13 on a 32-core machine.I have problem in
constructing supercell. I am trying to increase the unit cell up to 50 unit
in z direction both using x supercell and structeditor and I got these kind
of errors:
For x supercell:
Fatal Error occured:
Error writing to file:
case_super.struct
Program terminated.
0.0u 0.0s 0:49.70 0.0% 0+0k 1856+224io 9pf+0w
For structeditor
warning: broken pipe
For each of unit cell consist of 20 atoms. Please can anyone tell me about
this problem and how can i solve it. i will be very thankful to you.
Thanks and regards
Afiq Radzwan,
Universiti Teknologi Malaysia,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170221/a94c0b0e/attachment.html>
More information about the Wien
mailing list