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- From: priya-g@umail.ucsb.edu
- To: forum@abinit.org
- Subject: Density of states
- Date: Sat, 5 Apr 2003 02:15:23 +0200
Hi All,
This may be a silly question. Actually, I am calculationg total energy
calculations for a magnetic system. I start off by claiming that the
materials is going to be a metal. occopt3. The system relaxes to an
insulating one after the energy is minimised. Using, the density file for
this, can i calculate the density of states by running a non-scf calculation
again?
To print out the DOS , the occopt must necessarily be 4. I dont know if
this is ok to do..
--Priya
- Density of states, priya-g, 04/05/2003
- Re: [abinit-forum] Density of states, Masayoshi Mikami, 04/05/2003
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