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