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Tue May 11 17:31:48 CEST 2010
for the highest occupied and lowest occupied level which means a zero gap.
I played with the number a kpoints a finally got a band gap of 0.57 which
is not null.
The scf convergence looks good.
I'm not (yet) an expert in DFT calculation so may did something wrong or
misunderstood something here.
So, I wonder if someone has already successfully performed such
calculation.
I have attached my input file.
Thanks in advance,
Eric.
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