[Wien] RE:some porblem about opimize

[Lyudmila Dobysheva]

> But the most important thing is the energy jumped.

I would think about bad convergency due to some parameter, Nkpoints or Rkmax, 
in such case.

Best regards
  Lyudmila Dobysheva 
------------------------------------------------------------------
Phys.-Techn. Institute of       | Tel.(home):   7 (3412) 442118
Ural Br. of Russian Ac. of Sci. | Tel.(office): 7 (3412) 218988
426001 Izhevsk, ul.Kirova 132   | Fax:          7 (3412) 250614
RUSSIA                          | E-mail: lyu at otf.fti.udmurtia.su
------------------------------------------------------------------
http://fti.udm.ru/ltt/personals/dobysh.htm
------------------------------------------------------------------