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- From: kamala.raghavan@ge.com
- To: forum@abinit.org
- Subject: Re: Re: [abinit-forum] total density of states
- Date: Thu, 9 Nov 2006 15:42:09 +0100
Ok,
Here is what I tried to get DOS.
==================================
iscf2 -3
prtdos2 3
natsph2 1
iatsph2 2
ratsph2 2.5
kptopt2 1
ngkpt2 8 8 8
nband2 30
prteig2 1
occopt 1
#Other common data like unit cell specs etc
===================================================
The output I got was
===============================================
The local DOS (in electrons/Hartree for one atomic sphere)
and integrated local DOS (in electrons for one atomic sphere) are computed.
at 36001 energies (in Hartree) covering the interval
between -0.6000 and 1.2000 Hartree by steps of 0.00005 Hartree.
===========================================================
This has only projected DOS!
Am I missing something?
thanks
-Kamala
- Re: Re: [abinit-forum] total density of states, kamala . raghavan, 11/09/2006
- Re: Re: [abinit-forum] total density of states, Riad Shaltaf, 11/09/2006
- <Possible follow-up(s)>
- Re: Re: Re: [abinit-forum] total density of states, kamala . raghavan, 11/11/2006
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