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[Anjali Singh]

I am doing phonon calculation for Boron Nitrite system with 96 atom
every time i am getting error which says

     Self-consistent Calculation

     Pert. #  1: Fermi energy shift (Ry) = NaN            NaN

      iter #   1 total cpu time : 11235.6 secs   av.it.:   3.6
      thresh= 0.100E-01 alpha_mix =  0.100 |ddv_scf|^2 =  NaN
     kpoint   1 ibnd 193 solve_linter: root not converged  NaN
     kpoint   2 ibnd 193 solve_linter: root not converged  NaN
     kpoint   3 ibnd 193 solve_linter: root not converged  NaN
     kpoint   4 ibnd 193 solve_linter: root not converged  NaN
     kpoint   5 ibnd 193 solve_linter: root not converged  NaN
     kpoint   6 ibnd 193 solve_linter: root not converged  NaN
     kpoint   7 ibnd 193 solve_linter: root not converged  NaN

     Pert. #  1: Fermi energy shift (Ry) = NaN            NaN

      iter #   2 total cpu time : 17553.7 secs   av.it.: 200.0
      thresh= 0.100E-01 alpha_mix =  0.100 |ddv_scf|^2 =  NaN
     kpoint   1 ibnd 193 solve_linter: root not converged  NaN


can somebody help me
-- 
With Thanks and Regards
Anjali Singh
Material Theory Group
Theoretical Science Unit
Jawaharlal Nehru Centre for Advanced Scientific Research
Jakkur,Bangalore 560 064
India
email id : anjalisinghromi at gmail.com
phone no:+91-89703-58107
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