[Wien] how I can overcome this warning

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Sep 6 16:30:20 CEST 2011


Use TEMP(S) instead of TETRA in case.in2

Am 06.09.2011 16:08, schrieb Aboudi Hamouda:
> Dear all,
>
> I have this warning, which appears at the end of my scf cycle and even the scf is converged:
>
> EF not accurate, new emin,emax,NE-min,NE-max
>
> I have to notice that I am using a molecules in my calculations.
>
> Best regards,
>
>
>
>
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                                       P.Blaha
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