Did you run "initso_lapw" following the instruction given by the users-guide before you started your calculations?


? 2014/4/9 14:14, ??? ??:
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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