Unit Density of States

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hpaudel · #1 Post by **hpaudel** » Sun Jul 17, 2011 9:37 pm

Hello all,

Could you please tell me the unit of density of states in DOSCAR file ?

Thank you so much.

Hari

xiaoshanzi · #2 Post by **xiaoshanzi** » Mon Jul 18, 2011 11:44 am

I have no idea

jlbettis · #3 Post by **jlbettis** » Mon Jul 18, 2011 6:47 pm

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.

tlchan · #4 Post by **tlchan** » Tue Jul 19, 2011 6:53 am

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.

hpaudel · #5 Post by **hpaudel** » Wed Jul 20, 2011 10:11 pm

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

jlbettis · #6 Post by **jlbettis** » Fri Jul 22, 2011 8:38 pm

DOS is given in units of states/eV. Each unit cell has an innate energy(eV). There is no conversion.

tlchan · #7 Post by **tlchan** » Tue Jul 26, 2011 4:30 pm

[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.