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 ======================================== postdoctor at Institute of Physics, Chinese Academy of Sciences. ======================================== -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140304/4c7a3e81/attachment.html
