DOS energy interval

structure determination,...

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DOS energy interval

Postby Nahasamapetilah » Tue May 15, 2018 3:58 pm

Dear all,

I am trying to make some DOS and projected DOS calculations. I checked my outputs and I observed that the curves are not smooth. The DOS is computed every 0.001 Hartree. Does anyone know how to choose this interval for which the DOS is computed. I have not found any input variable that allows me to do that.

Thank you very much.

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Re: DOS energy interval

Postby gmatteo » Tue May 15, 2018 5:34 pm

See also
for the option selecting the gaussian/tetrahedron method,
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