<div dir="ltr">Dear all, I am trying to do a single point calculation of a zeolite Y structure using DFTB. The DFT section of my input file is the following: &DFT CHARGE 0 &QS METHOD DFTB &DFTB SELF_CONSISTENT T DO_EWALD T DISPERSION F &PARAMETER PARAM_FILE_PATH /<some_path>/dftb/parameters/matsci-0-3 PARAM_FILE_NAME scc_parameter_Y UFF_FORCE_FIELD /<some_path>/dftb/parameters/scc/uff_table &END PARAMETER &END DFTB &END QS &SCF MAX_SCF 40 EPS_SCF 1.0E-7 SCF_GUESS ATOMIC &OT MINIMIZER DIIS N_DIIS 7 PRECONDITIONER FULL_SINGLE_INVERSE &END OT &OUTER_SCF EPS_SCF 1.0E-7 MAX_SCF 10 &END OUTER_SCF &end scf &poisson &ewald EWALD_TYPE SPME GMAX 25 &end ewald &end poisson &END DFT Right after starting, the calculation ends with the following error message: ***************************************************************************** *** 13:36:25 ERRORL2 in cp_fm_cholesky:cp_fm_cholesky_decompose processor *** *** 0 err=-300 condition FAILED at line 102 *** ***************************************************************************** The structure of the calculation has previously been optimized with the PBE-D functional, and I therefore doubt that a bad input geometry is the cause of the error. I would appreciate suggestions on which parameters to change in order to make the calculation work. Thanks in advance for your help. Regards, Torstein Fjermestad </div>