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Nagtive value of DOS


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  • From: mbluo@yahoo.com.cn
  • To: forum@abinit.org
  • Subject: Nagtive value of DOS
  • Date: Wed, 12 Feb 2003 15:19:01 +0100


Hi,

I recently calculated the Density of State (DOS) of alloy AuSbTe2 in Rocksalt
structure. I found that some values of DOS are negative, though the values
are very small. Does anybody know what is the problem and how to solve it?

Some parameters I used are: ecut = 22.0 Ha, ngkpt 3*8, tolwfr 1.0d-16, occopt
4.

Thanks.

Mengbo Luo






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