[Pw_forum] phonon mode symmetry format
karan deep
karandeepster at gmail.com
Mon Jun 18 13:16:57 CEST 2012
my question is just to confirm the format used to write phonon modes at
end of output files of Ph.x. for some structures
it is
omega( 25 - 27) = 553.2 [cm-1] --> T_1u G_15 G_4- I
omega( 28 - 29) = 588.8 [cm-1] --> E_g G_12 G_3+ R
omega( 30 - 30) = 829.2 [cm-1] --> A_1g G_1 G_1+ R
here only one Eg line is there
but for some we have Eg and Eg* type thing i.e a why a degenerate frequency
is written two times.what are these eg* Eu* things
omega( 28 - 29) = 700.2 [cm-1] --> E_u I
omega( 28 - 29) = 700.2 [cm-1] --> E_u* I
omega( 30 - 30) = 780.0 [cm-1] --> A_g R
omega( 22 - 23) = 425.2 [cm-1] --> E_g R
omega( 22 - 23) = 425.2 [cm-1] --> E_g* R
also the G symbols are not here
why this is so
Are both correct or there is some mistake in the second one
Karandeep
Research Scholar
Physics Department,
IIT, Delhi
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