[Wien] DOS at Fermi level

[Chandrika]

Hi Georg,
Thanks.
I tried again by editing case.int file as
emin : 0.5
de : 0.0002
emax : 0.06
Gaus broadening : 0.0
Even so at very close to my fermi energy ie at 0.58860 and 0.58880 I get DOS 
= 0.00 and the value of Ef and DOS at Fermi level are :
0.55861   0.00   0.00   0.00   0.00
I would appreciate any other suggestions.
Thank you,
Chandrika


----- Original Message ----- 
From: <georg at chem.au.dk>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Tuesday, May 16, 2006 5:59 PM
Subject: Re: [Wien] DOS at Fermi level


> Probably you are using a broadning. The DOS at Ef from tetra is without
> broadning
>
>  Georg
>
> Quoting Chandrika <rcais at cal3.vsnl.net.in>:
>
>> Hello Wien Users,
>> In my case.outputt file I find that EF and DOS at Fermi level are:
>> 0.55861   0.00   0.00   0.00   0.00
>> However, when I checked the case.dos1 I found that at the energy
>> corresponding to 0.5580 there is a small DOS of 0.05 and at the next 
>> higher
>> energy of 0.059 there is a DOS of about 0.014.
>> Then why does the case.outputt show 0.00 for DOS at fermi level?
>> I am working with cubic SiC (semi-conductor).
>> I would appreciate your suggestions.
>> Thank you for your time,
>> Best wishes,
>> Chandrika
>>
>
>
> -- 
> Georg Madsen
> Department of Chemistry
> Aarhus University
> DK-8000 Århus C
> Denmark
> tlf (+45) 89423885
> http://www.chem.au.dk/~webuorg/gm
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien