[Pw_forum] need help

[Lorenzo Paulatto]

On 02/20/2014 01:06 PM, Halima Zaari wrote:
> the value extracted from the dos (2.5 ev)does not match to that taken 
> from the band structure,(3.5eV) even if the calculation was done with 
> the same parameters nothing is changed. knowing that the value of the 
> band structure is very close to the experimentalone . that we can 
> consider as the correct value or it must be identical ??
> how we can explain this diffrence??
>
mayeb the gap is indirect

-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www-int.impmc.upmc.fr/~paulatto/
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