TM functional

[Luca]

Dear All
I would like to perform calculations with the new TAO and MO (MGGA_X_TM)
functional, which is available in cp2k through the libxc-4.03 library.
I did several tests but I always get the following error:

KS energy is an abnormal value (NaN/Inf).
 
Could you please  help me? 

My input is :

 &FORCE_EVAL
  STRESS_TENSOR ANALYTICAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME  ./BASIS_MOLOPT
    POTENTIAL_FILE_NAME ./POTENTIAL
    CHARGE  0
    &SCF
    &END SCF
    &XC
      &XC_FUNCTIONAL
       &LIBXC
        FUNCTIONAL MGGA_X_TM
       &END LIBXC
       &LIBXC
        FUNCTIONAL MGGA_C_TPSS
       &END LIBXC
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
     ABC  5.0 5.0 5.0
    &END CELL
    &COORD
     H 0.0 0.0 0.0
     H 0.0 0.0 0.74
    &END
    &KIND H
      BASIS_SET DZVP-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT  TM
  RUN_TYPE ENERGY
  PRINT_LEVEL MEDIUM
  PREFERRED_FFT_LIBRARY FFTSG
  FFTW_PLAN_TYPE PATIENT
&END GLOBAL
                             

Thank you in advance.
Best Regards.
Luca 




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