[Pw_forum] Density of states

Yue-Wen Fang yuewen.fang at gmail.com
Mon Sep 17 10:18:08 CEST 2012


just use* dos* instead of inputpp
similarly, if you intend to calculate LDOS and PDOS, just instead of
inputpp by using* projwfc*
*
*
*Best Regards!*
*Yuewen Fang*
*Shanghai, China
*



2012/9/16 Sohail Ahmad <sohailphysics at yahoo.co.in>

>
> Dear QE Users
>
> I am trying to find DOS for MoS  using version 5.0.1
>
> I have already done this using version 4.2.1 around one month back
>
> The only difference i noticed that i have to use &dos instead of &inputpp
> and rest others i believe it should be same
>
> Can anyone help me in this regard ??
>
> Input file is attached
>
> &dos
>     outdir = './OUT'
>     prefix  = 'MoS'
>     Emin = -7.00, Emax = 13.00
>     DeltaE = 0.001,
>     fildos = 'MoS.dos.dat'
>
> ---------------------------------------------------------------------
>
> *Sohail Ahmad*
>
> Assistant Professor
>
> Department of Physics
>
> King Khalid University
>
> Abha, Saudi Arabia
>
>
>
> Contact:   +966 (0) 556776986 (M)
> --------------------------------------------------------------------
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
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>
>


-- 
----
Yue-Wen Fang
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