<div dir="ltr"><div>Hi everyone,<br><br>I am getting the error in phonon calculation:<br><br>     kpoint  54 ibnd  81 solve_linter: root not converged        NaN<br><br>     Pert. #  1: Fermi energy shift (Ry) =            NaN            NaN<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine broyden (1):<br>     factorization<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping ...<br><br></div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div>My input file is :<br><br><br>&inputph<br>  prefix = 'a1'<br>  amass(1) = 26.982<br>  amass(2) = 9.012<br>  amass(3) = 1.008<br>  amass(4) = 15.999<br>  amass(5) = 28.085<br>  outdir = './pwscf_out/'<br>  fildyn = 'phonon.dyn'<br>  trans = .true.<br>  ldisp = .true.             <br>  nq1 = 6                      <br>  nq2 = 6<br>  nq3 = 6<br>  start_q = 1                <br>  last_q = 1<br>  tr2_ph = 1.0d-14             <br>  alpha_mix(1) = 0.7       </div><div>  alpha_mix(2) = 0.3         <br>  diagonalization = 'david'   <br>/<br>0.0 0.0 0.0    <br><br>my k points in input file are :<br><b>6 6 6 1 1 1<br></b><br>Thank you for the help<br><br><br><br></div></div></div>