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how to make the DOS line smooth

Posted: Thu Jan 10, 2013 8:54 pm
by arnt
The smoothness of DOS is controlled by SIGMA and NEDOS parameters. In principle, if you are upset by the changed Fermi level, you may set it manually, i.e. shift back your DOS by the difference between the highest occupied state and the calculated Fermi level.

how to make the DOS line smooth

Posted: Thu Jan 17, 2013 8:15 pm
by maartendft
I usually use a primitive cell wit very high number of kpoints to obtain a smooth DOS.