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Dear All

I tried to perform the calculation for TiN and TiC. They are conductive, but they are not metals. Should I set ISMAER = 1 or 0?

In the vasp manual, it says: For semiconductors or insulators use the tetrahedron method (ISMEAR=-5); For relaxations in metals always use ISMEAR=1 or ISMEAR=2 and an appropriate SIGMA value.

Is ISMEAR = 2 more accurate than ISMEAR = 1 ?

Thanks and best regards

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