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Dear VASP users

Reviewing previous VASP forum answers, negative DOS can be overcome by using ISMEAR = -5 (the Blöchl tetrahedron integration).

In my calculations, I used ISMEAR = 1 for Fe nanoparticles. I am wondering if I should use ISMEAR=-5 for only DOS calculation. If so, for the total energy and the optimized geometry, can I keep the results obtained using ISMEAR=1 or should I recalculate the total energy and relaxed geometry with ISMEAR=-5 (becasue according to the manual, for relaxations in metals always use ISMEAR=1 or 2).

Thanks,
Donghee

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