[Wien] Structural relaxation
Gavin Abo
gsabo at crimson.ua.edu
Sat Dec 27 19:35:16 CET 2014
The WIEN2k program is trying to run the lapw0 executable file in the
directory "/usr/local/codes/WIEN2K-13.1/", but it cannot run or find it
(i.e., command not found).
Most likely you can solve the problem either by changing the PATH [1]
(e.g., $WIENROOT in .bashrc) so that it points to the directory with the
lapw0 executable file or you need to put the lapw0 executable file in
that directory (/usr/local/codes/WIEN2K-13.1/).
[1]
https://help.ubuntu.com/community/EnvironmentVariables#Session-wide_environment_variables
On 12/27/2014 3:25 AM, Mona Rahimian wrote:
> hi users
> I have this error when I want to run scf:
> ' usr/local/codes/WIEN2K-13.1/lapw0 command not found
> error: command /usr/local/codes/WIEN2K-13.1/lapw0 uplapw0.def failed'
> can you help me to solve this error?
> thanks
> --
> Mona Rahimian MSc Student
> Physics Department,
> College of Sciences
> Shiraz University, Shiraz, Iran
> E-mail address:rahimian91 at ymail.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20141227/e6b39552/attachment.html>
More information about the Wien
mailing list