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Unit Density of States
Posted: Sun Jul 17, 2011 9:37 pm
by hpaudel
Hello all,
Could you please tell me the unit of density of states in DOSCAR file ?
Thank you so much.
Hari
Unit Density of States
Posted: Mon Jul 18, 2011 11:44 am
by xiaoshanzi
I have no idea
Unit Density of States
Posted: Mon Jul 18, 2011 6:47 pm
by jlbettis
I hope someone stops me if I'm wrong... but I believe Energy is given in units of electron volts (eV) which is plotted against the density of states (DOS) which is unit-less. So Energy in eV and DOS is unit-less.
Unit Density of States
Posted: Tue Jul 19, 2011 6:53 am
by tlchan
You can find the details in the
VASP manual. The unit for the DOS is number of states/eV. The unit for the integrated DOS is number of states.
Unit Density of States
Posted: Wed Jul 20, 2011 10:11 pm
by hpaudel
Thank you all!
@ tlchan: The manual says unit is states/unit cell not the states/eV. I want it in sates/eV. how to get it from states/unit cell?
Thanks
Unit Density of States
Posted: Fri Jul 22, 2011 8:38 pm
by jlbettis
DOS is given in units of states/eV. Each unit cell has an innate energy(eV). There is no conversion.
Unit Density of States
Posted: Tue Jul 26, 2011 4:30 pm
by tlchan
[quote="hpaudel"]
@ tlchan: The manual says unit is states/unit cell not the states/eV. I want it in sates/eV. how to get it from states/unit cell?
[/quote]
I believe the manual is referring to integrated DOS having a unit of states/unit cell. The unit of DOS is that of integrated DOS divided by eV.