[Pw_forum] Regarding units for phonon dispersion in Pwscf

Kondaiah Samudrala konda.physics at gmail.com
Mon Mar 24 12:11:49 CET 2014


Dear all,

I successfully completed the ph0non dispersion calculations for AB2 type
compound. Surprisingly, I found the units of ph0non frequencies are in eV
while plotting dispersion. Pls see the below

Reading    9 bands at    200 k-points
Range:    0.0000  571.5027eV  Emin, Emax >

I also checked in the ph.out, where all the phonon frequencies are in
cm-1...

     omega(  1 -  1) =         19.0  [cm-1]   --> A_2u X_4' M_4'  I
     omega(  2 -  3) =         26.9  [cm-1]   --> E_u  X_5' M_5'  I
     omega(  4 -  5) =        132.4  [cm-1]   --> E_g  X_5  M_5   R
     omega(  6 -  7) =        195.6  [cm-1]   --> E_u  X_5' M_5'  I

Is it plotband.x shows error or something I missed in my i/p.. Help in this
problem

Thanks in advance

with regards
S. Appalakondaiah
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