[Wien] Error in SO

[Gavin Abo]

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.