[DFTB-Plus-User] Spin polarization

u3129004 at edu.gifu-u.ac.jp u3129004 at edu.gifu-u.ac.jp
Sun Jan 24 13:57:53 CET 2016


Dear DFTB+ users,

I intended to perform calculation taking into consideration spin 
polarisation within transport calculation. But after execution, the 
folloing message appeared:

ERROR!
-> GDFTB/LIBNEGF does not work spin polarized yet

Therefore within transport calculation, this type calculation can not be 
performed?

Thank you very much in advance,
Kazuma
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Kazuma KIHIRA
Graduate School of Engineering, Gifu University
E-mail:u3129004 at edu.gifu-u.ac.jp
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