[Wien] Emin and Emax

yasuharu_shiraishi at fujifilm.co.jp yasuharu_shiraishi at fujifilm.co.jp
Tue Jul 26 13:10:16 CEST 2005


Dear Stefaan,and Wien users,

  Thank you! I felt relieved!
  And I have more one question how to determine Emax.
  I want to calculate total energy more accurate as possible as I can.
  I think if I set large value of Emax, I can get more number of eigenvalue
  of band,
  so I think that I can get total energy more accurate.
  So now I set Emax=50.0.
  But  I  also  think  that  band at large energy don’t influence the total
  energy much.
  Is it strange?

  Best regard.




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