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

[Enlong Liu]

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.

Best


2014-05-05 20:22 GMT+08:00 <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; enlong.liu at student.kuleuven.be;
> > enlong.liu at biotech.tu-dresden.de
> > Mobile Phone: +4917666191322
> > Mailing Address: Zi. 0108R, Budapester Straße 24, 01069, Dresden, Germany
> > _______________________________________________
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> >
>
>
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-- 
Faculty of Engineering at K.U. Leuven
BIOTECH at TU Dresden
Email: liuenlong20 at gmail.com; enlong.liu at student.kuleuven.be;
enlong.liu at biotech.tu-dresden.de
Mobile Phone: +4917666191322
Mailing Address: Zi. 0108R, Budapester Straße 24, 01069, Dresden, Germany
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