[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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