[QE-users] Acuostic Sum Rule:-Regarding

Suresh A suresh2007pgp19 at gmail.com
Sun Sep 20 15:30:52 CEST 2020


Dear All,
            I would like to add one more point in my previous question. In
my second run (for tr2_ph = 1.0d-12, to tr2_ph = 1.0d-14) there is no
single negative frequency inside the ph.out file for example at point q = (
   0.000000000   0.000000000   0.000000000 )
     freq (    1) =       1.322563 [THz] =      44.115956 [cm-1]
     freq (    2) =       1.322563 [THz] =      44.115956 [cm-1] these two
were negative one for "tr2_ph = 1.0d-12" calculation.
                          Thanks and regards
                 Yours Sincerely,

 A.Suresh,
Post-Doctoral Fellow
Department of Physics
National Institute of Technology
Tiruchirappalli
Tamil Nadu,
India
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