[Pw_forum] unit of phonon dos

Miao Gao miaogao at ruc.edu.cn
Tue Mar 4 13:27:56 CET 2014


Dear all,


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.


Best wishes


Miao Gao


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postdoctor at Institute of Physics, Chinese Academy of Sciences.
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