Negative DOS

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kamala

Negative DOS

#1 Post by kamala » Mon Jan 29, 2007 11:03 am

HI,
I am getting negative values for DOS. The Forces and Energies look alright after the runs. The crystal structure looks ok too. Help please
Thanks
Kamala
Last edited by kamala on Mon Jan 29, 2007 11:03 am, edited 1 time in total.
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Negative DOS

#2 Post by admin » Mon Jan 29, 2007 2:19 pm

Please use the Blöchl tetrahedron integration to get accurate densities of states.
Last edited by admin on Mon Jan 29, 2007 2:19 pm, edited 1 time in total.
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kamala

Negative DOS

#3 Post by kamala » Tue Jan 30, 2007 9:46 am

This works. Thanks, Kamala
Last edited by kamala on Tue Jan 30, 2007 9:46 am, edited 1 time in total.
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