Hi, this is Changhoon Lee.
I am simulating the TiC in the tutorial, but an error occurs in the scf
calculation.
I sent my structure to a professor in another lab and simulated it, and he
said it worked normally. (k-point = 500)
So I think this problem is due to external factors such as
Hi, this is Changhoon Lee
I am a beginner of Wien2K.
I searched for this problem on the mailing list, but it did not help me.
I made the TiC file like a tutorial.
but 'run SCF' section shows an error.
> stop error
ERROR: NEC01 charge leakage too large
CORE END
LAPW2 END
LAPW1 END
LAPW0
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