[Wien] Emin and Emax
yasuharu_shiraishi at fujifilm.co.jp
yasuharu_shiraishi at fujifilm.co.jp
Wed Jul 27 07:53:35 CEST 2005
Dear Reza Osaty,
Thank you ! I felt relieved !
And Sorry, I have more one question.
I want to know how to determine Emax.
I want to calculate total energy more accurate as possible as I can.
I think if I set Emax larger, I can get more number of eigen value of band,
so I think that I can get total energy more accurate.
So I now set Emax=50.0
But I also think that it is too large and band at large energy don't
influence the total energy much.
Is it strange?
Best regards.
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