[CP2K-user] [CP2K:20040] Cell optimization

[Luca Ricotto]

Hi
I'm trying to perform a cell optimization and geometry optimization of a 
crystalline system (NaNiO2) but after many attempts it doesen't work
Below I link the error message and the input, can anyone help me?

The error printed in the output is 

*******************************************************************************
 *   ___                                                                   
    *
 *  /   \                                                                   
   *
 * [ABORT]                                                                 
    *
 *  \___/    Bad condition number R_COND = 1.141E-18 (smaller than the 
machine *
 *    |                             working precision)                     
    *
 *  O/|                                                                     
   *
 * /| |                                                                     
   *
 * / \                                                   
 common/mathlib.F:746 *
 *******************************************************************************

the input used is attached



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&GLOBAL
  PROJECT nanipbe
  RUN_TYPE CELL_OPT
  PRINT_LEVEL HIGH
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  STRESS_TENSOR ANALYTICAL
 &SUBSYS
    &CELL
      ALPHA_BETA_GAMMA 90.000000 110.261164  90.000000
      ABC 5.30218428     2.85974891     5.51063439
      SYMMETRY MONOCLINIC
      PERIODIC XYZ
    &END CELL
    &COORD
   Ni    2.651076620752E+00  1.429874453323E+00  9.071272335093E-03
   Ni   -2.169463136726E-19  8.329132135811E-39  8.718119470645E-19
   Na   -9.630048962364E-01  1.429874453323E+00  2.581548842759E+00
   Na    1.688071724516E+00  3.852346473923E-16  2.590620115094E+00
   O     1.876827970129E+00  3.769673892683E-16 -1.016475403305E+00
   O    -7.734677754928E-01  1.429874453323E+00 -1.025465674594E+00
   O    -1.876827970129E+00  2.580244268927E-16  1.016475403305E+00
   O     7.734677754928E-01  1.429874453323E+00  1.025465674594E+00
    &END COORD
   &KIND O
    BASIS_SET SZV-GTH-PADE
    POTENTIAL GTH-PBE-q6
   &END KIND
   &KIND Ni
    BASIS_SET SZV-GTH-PADE-q18
    POTENTIAL GTH-PBE-q18
   &END KIND
 &KIND Na
    BASIS_SET SZV-GTH-PADE
    POTENTIAL GTH-PBE-q9
   &END KIND
 &END SUBSYS
 &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    UKS .TRUE.
    &QS
      EXTRAPOLATION PS
      EPS_DEFAULT 1E-12
    &END QS
    &POISSON
       PERIODIC XYZ
    &END POISSON
    &MGRID
     CUTOFF 350
     NGRIDS 4
     REL_CUTOFF 30
   &END MGRID
   &SCF
     SCF_GUESS ATOMIC
     EPS_SCF 1.0E-7
     MAX_SCF 500
   &DIAGONALIZATION T
    ALGORITHM DAVIDSON
      &DAVIDSON
        ENERGY_GAP 0.01
        PRECONDITIONER FULL_ALL
      &END DAVIDSON
   &END DIAGONALIZATION
     &PRINT
       &RESTART OFF
       &END RESTART
     &END PRINT
   &END SCF
   &XC
     &XC_FUNCTIONAL
      &PBE
      &END PBE
     &END XC_FUNCTIONAL
   &END XC
 &END DFT
&END FORCE_EVAL
&MOTION
 &CELL_OPT
    TYPE DIRECT_CELL_OPT
    MAX_ITER 1500
    OPTIMIZER BFGS
  &END CELL_OPT
&END MOTION