At a minimum we need to know the RMTs, maybre more. I suspect that you
input the unit cell in Bohr whereas you should have used Angstroms. I
expect your RMTs are very small (<1 au) so everything will be wrong
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Professor Laurence Marks (Laurie)
Walter P Murphy Professor Emeritus
Department of Ma
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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