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Negative DOS

Posted: Mon Jan 29, 2007 11:03 am
by kamala
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

Negative DOS

Posted: Mon Jan 29, 2007 2:19 pm
by admin
Please use the Blöchl tetrahedron integration to get accurate densities of states.

Negative DOS

Posted: Tue Jan 30, 2007 9:46 am
by kamala
This works. Thanks, Kamala