[Wien] lapwdm error in runsp_c_lapw -so -orb

2013-11-01 Thread inukai manabu
Dear users,

I have encountered an error, when I run a calculation with the following 
command:
-
 runsp_c_lapw -so -orb -i 1 -NI
-
 runsp_c_lapw -so -orbdu -i 1 -NI
-


>   stop error

>   lapwdm -up  -so -c  (20:24:07) 0.013u 0.003s 0:00.01 100.0% 0+0k 0+32io 
> 0pf+0w
293.138u 7.564s 1:32.55 324.8%  0+0k 0+18760io 0pf+0w
  0.4166282726986301583.858271652641584.10827166790 
>   lapw2 -c -up -so(20:22:35)  WARNING: EF not accurate, new 
> emin,emax,NE-min,NE-max  0.416628272687763 
>   lapwso -up -c -orb  (20:17:07) 489.129u 23.690s 5:27.07 156.7%  0+0k 
> 0+3635432io 0pf+0w
copy Cd6Yb.vectorup to Cd6Yb.vectordn
228.674u 12.790s 1:37.37 247.9% 0+0k 0+1364784io 0pf+0w
>   lapw1  -c -up   (20:15:25)  IPASS set to 1 in lopw.f
>   lapw0   (20:14:20) 64.412u 0.525s 1:05.15 99.6% 0+0k 0+29200io 0pf+0w

I use WIEN2k ver. 12 on CentOS 6 x86_64. 

Best Regards,
M. Inukai
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[Wien] miller indexes and coefficients for plane wave in SRC_lapwso.

2012-01-10 Thread inukai manabu
Dear Wien2k users,
 
I find arrys of miller indexes and coefficients for plane wave in SRC_lapwso. 
however, it is very difficult for me that i understand wien2k code.
Please, tell me any information.
 
Best Regards
M. Inukai 
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