[DFTB-Plus-User] Calculation is not finished
u3129004 at edu.gifu-u.ac.jp
u3129004 at edu.gifu-u.ac.jp
Wed Jan 20 07:12:42 CET 2016
Dear DFTB+ user,
Now I am calculating the transmission for armchair graphene nanoribbon
terminated by hydrogen. I think this system is not so large, but it
takes very long time. It is repeating "COMPUTING DENSITY MATRIX" and "
SOLVING POISSON EQUATION". I attached my input file.
It would be very helpful if you could give me any advice.
Thank you very much in advance,
Kazuma
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Kazuma KIHIRA
Environmental & Renewable Energy Systems Division
Graduate School of Engineering, Gifu University
E-mail:u3129004 at edu.gifu-u.ac.jp
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