The ABINIT Users Mailing List ( CLOSED )

[Riad Shaltaf <shaltaf@pcpm.ucl.ac.be>]

To get total DOS you have to use prtdos with the value equal to 2

On Thu, 2006-11-09 at 15:42 +0100, kamala.raghavan@ge.com wrote:
> 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
> 
-- 
Riad Shaltaf                       UCL/SE/FSA/MAPR/PCPM
Tel: +32 (0)10 47 28 50            Bâtiment Boltzmann, a+1
Fax: +32 (0)10 47 34 52            1 place Croix du Sud
Mel: shaltaf@pcpm.ucl.ac.be        1348 Louvain-la-Neuve (Belgique)