forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- 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
- Nagtive value of DOS, mbluo, 02/12/2003
- Re: [abinit-forum] Nagtive value of DOS, verstraete, 02/12/2003
Archive powered by MHonArc 2.6.16.