The ABINIT Users Mailing List ( CLOSED )

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

Dear Tieyu,

please note that the energy unit in your DOS file is Ha not eV. 


Riad


On Tue, 2006-11-21 at 09:26 +0800, mailoliver wrote:
> Dear Riad,
>  
> I have gotten the total density of states. But I find that the energy
> window of DOS mismatch the energy window of bandstructure. 
>  
> For example, the energy range of bandstructure is from -20 eV to 19
> eV. While the energy range of DOS is from -0.8 eV to 1.0 eV.
>  
> Why?
>  
> Best wish 
>  
> Tieyu Lv 
>  
>  
>  
>  
> 在2006-11-16，"Riad Shaltaf" <shaltaf@pcpm.ucl.ac.be> 写道：
>         Dear Tieyu,
>         
>         please check the input variable dosdeltae
>         
>         
> http://www.abinit.org/Infos_v5.2/input_variables/vargs.html#dosdeltae
>         
>         Riad
>         
>         On Thu, 2006-11-16 at 11:58 +0100, mailoliver@163.com wrote:
>         > I find that the energy window of DOS is small. How can I get a 
> larger energy window?
>         > 
>         > Tieyu Lv  
>         > 
>         -- 
>         Riad Shaltaf                       UCL/SE/FSA/MAPR/PCPM
>         Tel: +32 (0)10 47 28 50            Btiment 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)
>         
> 
> 
> 
> 
> 
> 
> 
> 
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> 邮 箱 积 分 居 然 能 换 20 元 钱 , 这 你 也 知 道 吗 ? 点 此 兑 换 20
> 元 >> 
-- 
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)