[QE-users] Error while performing hybrid calculations

[Elio Physics]

Dear all,

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:

 ZPOTRF exited with INFO=           25

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine ZPOTRF (1):
     Cholesky failed in invchol.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

I am using the 'PBE0' hybrid functional and the  default exxdiv_treatment.

Any help would be appreciated.

Elie
Federal university of Rondonia
Brazil
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