[Wien] problems in band structure

Lyudmila Dobysheva lyuka17 at mail.ru
Sat Feb 2 13:05:47 CET 2013


02.02.2013 06:11, Madhav Ghimire пишет:
> But, For the band structure calculations, the calculation work fine upto:
>   x lapw1 -band -c -up -orb -p
>   x lapw1 -band -c -dn -orb -p

> 1.604u 2.336s 1:17:31.50 0.0%   0+0k 0+0io 29pf+0w
> 0.876u 1.020s 1:17:29.95 0.0%   0+0k 0+0io 0pf+0w
__!!!!!!________!!!!!!!!!!_!!!!
For me, this output looks very strange. Were these two lapw1 programs 
really calculating?
Look at their outputs attentively/

Best wishes
   Lyudmila Dobysheva
------------------------------------------------------------------
Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
426001 Izhevsk, ul.Kirova 132
RUSSIA
------------------------------------------------------------------
Tel.:7(3412) 442118 (home), 218988(office), 722529(Fax)
E-mail: lyu at ftiudm.ru
         lyuka17 at mail.ru (office) lyuka17 at gmail.com (home)
Skype:  lyuka17 (home), lyuka18 (office)
http://fti.udm.ru/content/view/25/103/lang,english/
------------------------------------------------------------------




More information about the Wien mailing list