[Wien] re Energy in SCF not converged

[santhy kathirvelu]

Dear Youcef
  Thanks a lot for ur reply.  i will look at that paper.
  
  youcef bouhadda <bouhadda at yahoo.com> wrote:  Dear santhy,
i think that Rmts must not be the same for Fe and Ti
you can see this paper:
Electronic study of FeTi, CoTi and NiTi alloys: bulk,
surfaces,and interfaces
A. Kellou, Z. Nabi and al
phys. stat. sol. (b) 239 , No. 2, 389-398 (2003)
good luck


       
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with love,
 K. Santhy
 
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