[Pw_forum] need help

Halima Zaari halimazaari at gmail.com
Thu Feb 20 13:06:06 CET 2014


dear all
i have a question about the value of  band gap:
 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??
thank for your help

-- 
H.ZAARI
PhD Student in laboratory of magnetism and physics of high energy
Faculty of Sciences in Rabat - Morocco
Email:
* halimazaari at gmail.com <boujnah.mourad at gmail.com>*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140220/b50d0160/attachment.html>


More information about the users mailing list