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Dear all,<div><br></div><div>I am trying to calculate the phonon dispersion for a structure with 13 points. It was successful for the first 4 and then there was an error in diagonalization:</div><div><br></div><div>"<span style="font-size: 10pt;"> kpoint 35 ibnd 17 solve_linter: root not converged NaN" for many points and then the routine stopped with the error:</span></div><div><span style="font-size: 10pt;"><br></span></div><div><span style="font-size: 10pt;">"</span><span style="font-size: 10pt;"> stopping ...</span></div><div> Error in routine broyden (1):</div><div> factorization</div><div>"</div><div><br></div><div>Can anyone please tell me the source of the error and how to correct it? Thanksss</div><div><br></div><div>Elias </div><div>University of Derby</div><div><span style="font-size: 10pt;"><br></span></div> </div></body>
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