[Wien] Initialization for TiC

[Gavin Abo]

Do a directory listing of your WIEN2k installation directory? Does a 
non-zero nn file exist [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17699.html 
], e.g.:

ls -l /home/wangzm/soft/wien2k_13/nn

If it does not exist, you need to compile WIEN2k to create it using 
./siteconfig_lapw or use the nn file from 
WIEN2k_18.2_executables.tar.gz.  The WIEN2k_18.2_executables.tar.gz 
should be download again today, since it was recently fixed [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17899.html 
].

If you really are using WIEN2k version 13 based on your directory path, 
I advise against using it as on the updates list you should see that 
many serious bugs were found and fixed since that version such that the 
latest WIEN2k version available should give the most accurate and 
correct results (currently version 18.2):

http://susi.theochem.tuwien.ac.at/reg_user/updates/

I few 18.2 bugs have been found.  My list about the patches for fixing 
them can be found at:

https://github.com/gsabo/WIEN2k-Patches/tree/master/18.2

On 9/6/2018 8:38 PM, 王子曼 wrote:
> Dear WIEN2k community
>
> I want to initialize the calculation of the TiC by following the usersguide,
> but when I click "Execution o initialize calc."and "x nn",it appeared
>
> /home/wangzm/soft/wien2k_13/nn: Command not found.
> 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
> error: command   /home/wangzm/soft/wien2k_13/nn nn.def   failed
>
> I have browsed the archives AND READ THE USERS GUIDE and the
> FAQ pages Peter provides, but I couldn't solve my problem that way.
>
> thanks!
>
> Yours
> Wang zm