[Wien] k-list has changed
John Appleton
banger_deep at yahoo.com
Tue Jun 20 04:19:32 CEST 2006
Hi,
I'm running the new WIEN. After the first SCF step,
I got the following message in case.dayfile:
Note: k-list has changed
What's going on and how do I fix the problem?
Also, how does one set the parameter NUME
based on the value of NMATMAX.
Thank you
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060620/0b42f041/attachment.html
More information about the Wien
mailing list