About DOS

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shmily · #1 Post by **shmily** » Wed Jul 06, 2005 7:49 am

Dear all,
About DOSCAR file in the manual, It gives that the unites of DOS are "number of states/unit cell", unit cell is cell volume? but, In some paper using VASP calculated , the unites of DOS are "states/ev atom" . Is it a conversion of the units ? if it is, how to convert?
Thanks for your help.

Veronika · #2 Post by **Veronika** » Wed Jul 06, 2005 1:14 pm

from "number of states/unit cell" to "states/ev atom":
divide by the unit cell volume and the number of atoms

greetings

#3 Post by **admin** » Fri Jul 08, 2005 10:12 am

this depends of whether the cell is just a multiple of a single-component cell
(one atom type only) or not
If so, a simple division by the number of atoms is sufficient, if not,
set LORBIT in INCAR appropriately.
have a look into the online manual for valid input values of LORBIT
http://cms.mpi.univie.ac.at/vasp/vasp/node125.html

rauleg · #4 Post by **rauleg** » Thu May 30, 2013 8:45 am

the change from electrons/eV to states/unit cell?

rauleg · #5 Post by **rauleg** » Fri May 31, 2013 6:28 pm

yes, the conversion "divide by the unit cell volume and the number of atoms "??