This might be due to the blocksize problem. An "important fix for
blocksize" was applied to SRC_lapw1 in Wien2k 12.1
[http://www.wien2k.at/reg_user/updates/]. As you can see in your
dayfile, lapwso comes right after lapw1. Some other fixes have also been
made to initso_lapw and SRC_lapwso for SO calculations. So it is
recommended to use Wien2k 13.1 with the fix described at:
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2014-March/020791.html
On 4/9/2014 12:14 AM, 小红帽 wrote:
Dear WIEN2k,
I did the SO in my calculation, but there is an error :
Calculating CoS2 in /home/llh1/WIEN2k/CoS2
on localhost.localdomain with PID 24045
using WIEN2k_11.1 (Release 14/6/2011) in /home/llh1/wien
start (Wed Apr 9 10:39:34 CST 2014) with lapw0 (40/99 to go)
cycle 1 (Wed Apr 9 10:39:34 CST 2014) (40/99 to go)
> lapw0 (10:39:34) 5.611u 0.101s 0:06.71 85.0% 0+0k 0+0io 0pf+0w
> lapw1 -up (10:39:41) 4040.031u 48.070s 1:30:32.12 75.2% 0+0k 0+0io
0pf+0w
> lapw1 -dn (12:10:13) 3980.955u 48.090s 1:34:28.69 71.0% 0+0k 0+0io
0pf+0w
> lapwso -up (13:44:42) 0.132u 0.016s 0:00.36 38.8% 0+0k 0+0io 15pf+0w
error: command /home/llh1/wien/lapwso lapwso.def failed
> stop error
But the error files is empty.I do not know what is wrong. Please give
me some hits. Thank you.
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