[Wien] Few questions about initialization

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Mon Jun 3 20:23:31 CEST 2019


Dear Wien2k Experts,
I have some queries about initialization

1. how to use gmax in batch mode ?
2. How to grep ecut ?

3. This may be not for Wien2k related issue but  any experienced use may
help or it may be related with Wien2k.

When my the  PC is working for last few days and I want to do
initialization then I face segmentation fault error (see below) and if I
restart the PC, everything goes well. Is there any workaround so that I do
not need to restart the PC all the time?

 next is kgen
Segmentation fault
 n stop error n

 So this is particular when kgen starts it means "x kgen" does not work.
x(_lapw) kgen gives

Segmentation fault
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command   /home/kcbhamu/WIEN2k_18.2/kgen kgen.def   failed
I do not see that this is related to "x" as I faced the issue where my "x"
was from some other Linux code.


Regards
Bhamu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190603/0ac5a331/attachment.html>


More information about the Wien mailing list