[DFTB-Plus-User] band-convergence

[Fateme Hooshmand]

Dear Gabriele
Already I have tried it but the result of bandstructure is really strange and it is totally difference from QM result. But, in this case I set the MaxSCCIterations #1 because without that SCC did not converge!!!
I try to do the same calculation with DFT ( without any mixing parameters and Hubbard parameters). 
the ps file is attached . 
Any Help will be appreciated. 
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