[Pw_forum] error :kpoint 7 ibnd 17 solve_linter: root not converged NaN

[xu yuehua]

error in the phonon calculation! (the 19th phonon problem)全部回复
hi all :
my system is a excited state, my aim is to get the phonon phonon at G point
at this state,but i face
the error  is following in the 19 phonon calculation ?

  Representation # 19 mode #  19
     Self-consistent Calculation
      iter #   1 total cpu time :  3876.6 secs   av.it.:   3.9
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.412E-07
      iter #   2 total cpu time :  3896.1 secs   av.it.:  10.3
      thresh= 0.203E-04 alpha_mix =  0.700 |ddv_scf|^2 =  0.891E-09
      iter #   3 total cpu time :  3918.1 secs   av.it.:  12.9
      thresh= 0.298E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.155E-08
      iter #   4 total cpu time :  3939.5 secs   av.it.:  11.9
      thresh= 0.394E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.415E-11
     kpoint   7 ibnd  17 solve_linter: root not converged  NaN
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from broyden : error #         3
     factorization
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from broyden : error #         3
     factorization
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from broyden : error #         3
     factorization
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...
the error is in the 19th phonon calculation ,before is OK.
SO i do not know what happened. i need your help.

-- 
Xu Yuehua
physics Department of Nanjing university
China
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