About dosdeltae
Posted: Fri Mar 09, 2012 3:34 am
Dear abiniter:
Hi, Thanks for making great software.
Right now, I am trying to see the temperature effect ,i.e) basically see the total magnetization difference, on my magnetic material using fermi dirac smearing.
So, i set the occopt as 3, and changed the temperature using tsmear variable.
But the interval of tsmear is 0.0001 Ha which is smaller than the minimum DOS resoulation (dosdeltae=0.001)
Is my calculation still have meaning by doing so?
Should i set the tsmear lager than minimum limit of dosdeltae (0.001)?
Thanks,
Soo
Hi, Thanks for making great software.
Right now, I am trying to see the temperature effect ,i.e) basically see the total magnetization difference, on my magnetic material using fermi dirac smearing.
So, i set the occopt as 3, and changed the temperature using tsmear variable.
But the interval of tsmear is 0.0001 Ha which is smaller than the minimum DOS resoulation (dosdeltae=0.001)
Is my calculation still have meaning by doing so?
Should i set the tsmear lager than minimum limit of dosdeltae (0.001)?
Thanks,
Soo