[DFTB-Plus-User] Warning: [zmultdns] matrices don't match

[Gabriele Penazzi]

On 05/05/2014 02:54 PM, Enlong Liu wrote:
> Hi, Anusha,
>
> That is also a problem. I do not know how to assign two different 
> fermi energy, In fact they are not the same for nanotube and Ag. I 
> just keep it the same to simulation another contact on the top of the 
> nanotube. I will come to this issue later on to see if it will make 
> any difference by changing the fermi energy.

You can assign different fermi level by specifying the contact id, 
similarly to the syntax used for ContactPotentials

Best
Gabriele

>
> Best
>
>
> 2014-05-05 20:22 GMT+08:00 <anz118466 at cse.iitd.ac.in 
> <mailto:anz118466 at cse.iitd.ac.in>>:
>
>
>     Hi,
>
>     Were the Fermi levels for the respective contacts same? The
>     'SetForAll'
>     operator is for identical contacts, as per the manual.
>
>     Best,
>     Anusha
>
>     > Dear all,
>     >
>     > I am new to DFTB+NEGF and I want to calculate the transmission
>     function
>     > and
>     > current through BNT-Ag contact. I finished calculating the BNT
>     and Ag
>     > contact separately. When doing the calculation for device, there
>     is always
>     > a warning saying that " WARNING (zmultdns): matrices don't match
>     ". And
>     > the
>     > computing of density matrix stops. So I want to ask you all,
>     what is wrong
>     > with my input file? Is there any way to solve this problem?
>     >
>     > Thanks a lot for your help!
>     >
>     > Best regards,
>     >
>     > --
>     > Faculty of Engineering at K.U. Leuven
>     > BIOTECH at TU Dresden
>     > Email: liuenlong20 at gmail.com <mailto:liuenlong20 at gmail.com>;
>     enlong.liu at student.kuleuven.be
>     <mailto:enlong.liu at student.kuleuven.be>;
>     > enlong.liu at biotech.tu-dresden.de
>     <mailto:enlong.liu at biotech.tu-dresden.de>
>     > Mobile Phone: +4917666191322 <tel:%2B4917666191322>
>     > Mailing Address: Zi. 0108R, Budapester Straße 24, 01069,
>     Dresden, Germany
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>
>
> -- 
> Faculty of Engineering at K.U. Leuven
> BIOTECH at TU Dresden
> Email:liuenlong20 at gmail.com <mailto:liuenlong20 at gmail.com>; 
> enlong.liu at student.kuleuven.be 
> <mailto:enlong.liu at student.kuleuven.be>; 
> enlong.liu at biotech.tu-dresden.de <mailto:enlong.liu at biotech.tu-dresden.de>
> Mobile Phone: +4917666191322
> Mailing Address: Zi. 0108R, Budapester Straße 24, 01069, Dresden, Germany
>
>
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-- 
Dr. Gabriele Penazzi
BCCMS - University of Bremen

http://www.bccms.uni-bremen.de/
http://sites.google.com/site/gabrielepenazzi/

phone: +49 (0) 421 218 62337
fax: +49 (0) 421 218 62770

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