[Pw_forum] a error when caculate phonon using version3.0!

hjlyw1983 hjlyw1983 hjlyw1983 at gmail.com
Thu Mar 30 10:35:36 CEST 2006


Dear all:
   When I caculated the phonon of SnO at Gamma point using the version3.0, a
part of the result as below:


 Raman tensor (A^2)

     atom #    1    pol.  1
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
     atom #    1    pol.  2
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
     atom #    1    pol.  3
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
     atom #    2    pol.  1
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
     atom #    2    pol.  2
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
     atom #    2    pol.  3
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
     atom #    3    pol.  1
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
 0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
     atom #    3    pol.  2
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
     atom #    3    pol.  3
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
     atom #    4    pol.  1
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
     atom #    4    pol.  2
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
     atom #    4    pol.  3
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
      0.000000000000E+00      0.000000000000E+00      0.000000000000E+00
all the values or Raman tensor are zero, I think there is no error in my
inputfile, and my input file as below:

 phonons of SnO at Gamma
 &inputph
 tr2_ph=1.0d-15,
  prefix='SnO',
  epsil=.true.,
  amass(1)=118.69,
  amass(2)=15.999,
  trans=.true.,
  lraman=.true.,
  elop=.true.
  recover=.true.
  outdir='/pwscftmp/lyw/tmp/tmp1/',
  fildyn='SnO.dynG',
 fildrho='SnO.drho',
 /
0.0 0.0 0.0
Waiting for your help! thank you!
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