DOS UNITS

Brought to you by: jkdewhurst, sangeetasharma

DOS UNITS

Forum: Elk Users

Creator: nassima

Created: 2015-03-23

Updated: 2015-03-23

nassima - 2015-03-23

Hi, please i calculated the DOS and the PHDOS ? the units are (states/hartree/unit cell)
please can someone tell me how to convert it to (states/eV/unit cell)

ths

If you would like to refer to this comment somewhere else in this project, copy and paste the following link:

Vitaliy Romaka - 2015-03-23

simple math: Dos(states/hartree) / (13.606*2) = Dos(states/eV)

13.606eV = 1Ry
2Ry = 1Ha
Or google some online units converter ;)

Last edit: Vitaliy Romaka 2015-03-23

If you would like to refer to this comment somewhere else in this project, copy and paste the following link:

nassima - 2015-03-23

thank you for the answer
i did it . i know that 1Ha=27.2eV but t got incorrect values !!! so i thinked that i made a mistake

If you would like to refer to this comment somewhere else in this project, copy and paste the following link:

Log in to post a comment.