detemination of ISMEAR and sigma
Posted: Thu Dec 18, 2008 3:57 am
I'd like to know how ISMEAR and sigma should be deterined generally.
I am to use ISMEAR=-5 and sigma=0.2 for my sytem(metal-organic material and it may be insulator or have somewhat a semiconducting property).
Should it be O.K.?
What does decreasing of sigma=0.01 or 0.02 mean in detail and in what case should we use small sigma?
best regards,
I am to use ISMEAR=-5 and sigma=0.2 for my sytem(metal-organic material and it may be insulator or have somewhat a semiconducting property).
Should it be O.K.?
What does decreasing of sigma=0.01 or 0.02 mean in detail and in what case should we use small sigma?
best regards,