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Re: Re: [abinit-forum] total density of states


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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



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