[CP2K-user] [CP2K:20878] ALMO EDA output issue

[khaled jaradat]

Dear All,
After performing ALMO_EDA calculation, the job ends successfuly, but the 
output  *ct_energy_terms* and *charge_terms *files are not generated!
      
&ANALYSIS T
        FROZEN_MO_ENERGY_TERM SUBLATTICE
        &PRINT
          &ALMO_EDA_CT
            FILENAME *ct_energy_terms*
          &END ALMO_EDA_CT
          &ALMO_CTA
            FILENAME *charge_terms*
          &END ALMO_CTA
        &END PRINT
      &END ANALYSIS
Any advice to solve this issue? thank you.

Attached is the full input used.

Best regards,
KJ

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&GLOBAL
  PROJECT crystal_ALMO_EDA
  RUN_TYPE ENERGY
  PRINT_LEVEL MEDIUM
&END GLOBAL

&FORCE_EVAL
  METHOD QS

  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME GTH_POTENTIALS

    &ALMO_SCF
      ALMO_ALGORITHM DIAG
      ALMO_SCF_GUESS MOLECULAR
      DELOCALIZE_METHOD XALMO_X
      EPS_FILTER 1.0E-8
      XALMO_R_CUTOFF_FACTOR 1.4
      &ALMO_OPTIMIZER_DIIS
        EPS_ERROR 5.0E-4
        MAX_ITER 10
        N_DIIS 5
      &END ALMO_OPTIMIZER_DIIS

      &ANALYSIS T
        FROZEN_MO_ENERGY_TERM SUBLATTICE
        &PRINT
          &ALMO_EDA_CT
            FILENAME ./ct_energy_terms
          &END ALMO_EDA_CT
          &ALMO_CTA
            FILENAME ./charge_terms
          &END ALMO_CTA
        &END PRINT
      &END ANALYSIS

      &XALMO_OPTIMIZER_PCG
        CONJUGATOR DAI_YUAN
        EPS_ERROR 5.0E-4
        LIN_SEARCH_EPS_ERROR 0.1
        LIN_SEARCH_STEP_SIZE_GUESS 0.5
        MAX_ITER 100
        MAX_ITER_OUTER_LOOP 0
      &END XALMO_OPTIMIZER_PCG
     &END ALMO_SCF

    &MGRID
      NGRIDS  4
      CUTOFF  400.0
      REL_CUTOFF  40.0
    &END MGRID

    &QS
      EPS_DEFAULT  1.0E-10
      METHOD  GPW
    &END QS

    &SCF
      MAX_SCF  2000
      EPS_SCF  1.0E-06
      SCF_GUESS  RESTART
      &OT T
        MINIMIZER DIIS
        SAFE_DIIS T
        PRECONDITIONER FULL_SINGLE_INVERSE
      &END OT
      &OUTER_SCF  T
        EPS_SCF  9.9999999999999995E-08
        MAX_SCF  10
      &END OUTER_SCF
      &PRINT
        &RESTART SILENT
          BACKUP_COPIES 2
          &EACH
            GEO_OPT 2000
          &END EACH
        &END RESTART
      &END PRINT
    &END SCF

    &XC
      DENSITY_CUTOFF  1.0E-10
      GRADIENT_CUTOFF  1.0E-10
      TAU_CUTOFF  1.0E-10
      &XC_GRID
        XC_SMOOTH_RHO  NN50
        XC_DERIV  NN50_SMOOTH
      &END XC_GRID
      &XC_FUNCTIONAL
        &PBE
        &END PBE
      &END XC_FUNCTIONAL

      &VDW_POTENTIAL
        POTENTIAL_TYPE PAIR_POTENTIAL
        &PAIR_POTENTIAL
          R_CUTOFF 14.0
          TYPE DFTD3
          PARAMETER_FILE_NAME dftd3.dat
          EPS_CN 1.0E-7
          D3_SCALING 1.0 0.872 0.514
          CALCULATE_C9_TERM F
          LONG_RANGE_CORRECTION T
          VERBOSE_OUTPUT T
        &END PAIR_POTENTIAL
      &END VDW_POTENTIAL
    &END XC

    &POISSON
      POISSON_SOLVER PERIODIC
      PERIODIC XYZ
    &END POISSON

  &END DFT


  &SUBSYS
    &CELL
      ABC 15.0 15.0 15.0
    &END CELL
    &COORD
     O         1.0970239292        0.0006905694        0.3900766006
     H         0.8134653252       -0.9211005140        0.2619552425
     H         0.8433746467        0.2078153312        1.3063330254
     O         4.0579877119        0.1556109823        0.2350242070
     H         4.2931764462        0.8147930661       -0.4379510716
     H         3.0769793026        0.1451658181        0.2279811207
    &END COORD
    &KIND H
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q6
    &END KIND
  &END SUBSYS

&END FORCE_EVAL