[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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