[Pw_forum] convergence NOT achieved after 100 iterations: stopping

[Cao TF]

Dear QE users
   Recently, I have done some calculation of BN sheet with hydrogen atoms adsorbed on it.  The problem is that when I let hydrogen atoms adsorb on the N atoms. The calculation is hard to converge. Although, I have changed mixing_beta and the number of K points. The problem have not been solved. Dose anyone have some experience on such kind of calculations? Any suggestions will be greatly appreciated. Here is my input file.
&CONTROL
     title = 'graphene layer' ,
     calculation = 'relax' ,
     restart_mode = 'restart' ,
     outdir = './tmp' ,
     pseudo_dir = '/lustre/ISSP2/tfcao/pseudo' ,
     prefix = 'graphene' ,
     tprnfor = .TRUE. ,
     nstep = 400 ,
 /
 &SYSTEM
     ibrav = 8 ,
     a = 15.026832 , b = 13.014 , c = 15.0 ,
     nat = 74 ,
     ntyp = 3 ,
     starting_magnetization(1) = 0.5 ,
     occupations = 'smearing' ,
     nosym = .TRUE. ,
     degauss = 0.005 ,
     smearing = 'mp' ,
     nspin = 2 ,
     ecutwfc = 30.0 ,
     ecutrho = 300.0 ,
 /
 &ELECTRONS
     conv_thr = 1.0d-7 ,
     mixing_mode = 'local-TF' ,
     mixing_beta = 0.1 ,
     diagonalization = 'cg' ,
 /
 &IONS
     ion_dynamics = 'bfgs' ,
     pot_extrapolation = 'atomic' ,

/
 ATOMIC_SPECIES
  B   10.811    B.pbe-n-van.UPF
  N   14.00674  N.pbe-rrkjus.UPF
  H   1.00000   H.pbe-rrkjus.UPF
ATOMIC_POSITIONS crystal
ATOMIC_POSITIONS crystal
 N   0.0000000       0.0000000      0.50000000  0  0  0
 B   0.0000000      0.11111100      0.50000000
 N  8.33330005E-02  0.16666700      0.50000000
 B  8.33330005E-02  0.27777800      0.50000000
 N   0.0000000      0.33333299      0.50000000
 B   0.0000000      0.44444400      0.50000000
 N  8.33330005E-02  0.50000000      0.50000000
 B  8.33330005E-02  0.61111099      0.50000000
 N   0.0000000      0.66666597      0.50000000
 B   0.0000000      0.77777696      0.50000000
 N  8.33330005E-02  0.83333296      0.50000000
 B  8.33330005E-02  0.94444394      0.50000000
 N  0.16666700       0.0000000      0.50000000
 B  0.16666700      0.11111100      0.50000000
 N  0.25000000      0.16666700      0.50000000
 B  0.25000000      0.27777800      0.50000000
 N  0.16666700      0.33333299      0.50000000
 B  0.16666700      0.44444400      0.50000000
 N  0.25000000      0.50000000      0.50000000
 B  0.25000000      0.61111099      0.50000000
 N  0.16666700      0.66666597      0.50000000
 B  0.16666700      0.77777696      0.50000000
 N  0.25000000      0.83333296      0.50000000
 B  0.25000000      0.94444394      0.50000000
 N  0.33333400       0.0000000      0.50000000
 B  0.33333400      0.11111100      0.50000000
 N  0.41666698      0.16666700      0.50000000
 B  0.41666698      0.27777800      0.50000000
 N  0.33333400      0.33333299      0.50000000
 B  0.33333400      0.44444400      0.50000000
 N  0.41666698      0.50000000      0.50000000
 B  0.41666698      0.61111099      0.50000000
 N  0.33333400      0.66666597      0.50000000
 B  0.33333400      0.77777696      0.50000000
 N  0.41666698      0.83333296      0.50000000
 B  0.41666698      0.94444394      0.50000000
 N  0.50000101       0.0000000      0.50000000
 B  0.50000101      0.11111100      0.50000000
 N  0.58333403      0.16666700      0.50000000
 B  0.58333403      0.27777800      0.50000000
 N  0.50000101      0.33333299      0.50000000
 B  0.50000101      0.44444400      0.50000000
 N  0.58333403      0.50000000      0.50000000
 B  0.58333403      0.61111099      0.50000000
 N  0.50000101      0.66666597      0.50000000
 B  0.50000101      0.77777696      0.50000000
 N  0.58333403      0.83333296      0.50000000
 B  0.58333403      0.94444394      0.50000000
 N  0.66666800       0.0000000      0.50000000
 B  0.66666800      0.11111100      0.50000000
 N  0.75000101      0.16666700      0.50000000
 B  0.75000101      0.27777800      0.50000000
 N  0.66666800      0.33333299      0.50000000
 B  0.66666800      0.44444400      0.50000000
 N  0.75000101      0.50000000      0.50000000
 B  0.75000101      0.61111099      0.50000000
 N  0.66666800      0.66666597      0.50000000
 B  0.66666800      0.77777696      0.50000000
 N  0.75000101      0.83333296      0.50000000
 B  0.75000101      0.94444394      0.50000000
 N  0.83333498       0.0000000      0.50000000
 B  0.83333498      0.11111100      0.50000000
 N  0.91666800      0.16666700      0.50000000
 B  0.91666800      0.27777800      0.50000000
 N  0.83333498      0.33333299      0.50000000
 B  0.83333498      0.44444400      0.50000000
 N  0.91666800      0.50000000      0.50000000
 B  0.91666800      0.61111099      0.50000000
 N  0.83333498      0.66666597      0.50000000
 B  0.83333498      0.77777696      0.50000000
 N  0.91666800      0.83333296      0.50000000
 B  0.91666800      0.94444394      0.50000000
 H  0.50000000      0.66666600      0.56900670
 H  0.66666800      0.33333300      0.56900670
K_POINTS {automatic}
8 8 1 0 0 0
======================================================================
Teng Fei Cao
======================================================================                                                                                                                                                                                     
    Research Laboratory for Computational Materials Sciences,
Instutue of Solid State Physics,the Chinese Academy of Sciences,
P.O.Box 1129, Hefei 230031, P.R.China
Tel: 86-551-5591464-326(office)
Fax: 86-551-5591434                                                                                                                                                                                                                                                                                                                                                    
   

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