[Pw_forum] unit of phonon dos
miaogao at ruc.edu.cn
Tue Mar 4 13:27:56 CET 2014
In matdyn.f90, we can see the unit of phonon dos (see below).
! fldos output file for dos (default: 'matdyn.dos')
! the dos is in states/cm(-1) plotted vs omega in cm(-1)
! and is normalised to 3*nat, i.e. the number of phonons
But I calculated the phonon dos for MgB2 with 3 or 6 (including two primitive unit cells along z direction) atoms per cell, respectively.
The calculated phonon dos of 6-atom cell by matdyn.x is exactly two times as large as that of 3-atom cell.
I guess that the phonon dos is not normalised to 3*nat, am I right?
So could any one tell me what is the unit of phonon dos in QE codes?
Any help will be appreciated! Thank you in advance.
postdoctor at Institute of Physics, Chinese Academy of Sciences.
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