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

Enlong Liu liuenlong20 at gmail.com
Mon May 5 13:09:06 CEST 2014


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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