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Dear all,</div>
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I am doing some hybrid calculations to compute a precise bandgaps for some structures I have. Whilst checking the convergence of the electronic grids (I set nqx1=1,nqx2=1,nqx2=1), the code runs aroynd 12 scf steps but then exits with an error:</div>
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ZPOTRF exited with INFO= 25
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<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div> Error in routine ZPOTRF (1):</div>
<div> Cholesky failed in invchol.</div>
<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
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<span> stopping ...</span></div>
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<span>I am using the 'PBE0' hybrid functional and the default exxdiv_treatment.</span></div>
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<span>Any help would be appreciated.</span></div>
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<span>Elie</span></div>
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<span>Federal university of Rondonia</span></div>
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<span>Brazil</span><br>
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