[CP2K-user] "CPASSERT failed"---kpoint calculations/band structure with hybrid functional PBE0?

[wuli... at gmail.com]

Hi All,
I want to print the band structure of WO3 with hybrid functional PBE0 and I 
get the "CPASSERT failed  hfx_energy_potential.F:494" 
Routine Calling Stack : 9 integrate_four_center

The input file downloaded 
from https://www.cp2k.org/exercises:2018_uzh_cmest:pdos?s[]=band
And the functional PBE0 description are:

&XC                       ! this is the section to define the electronic exchange  
      &XC_FUNCTIONAL          ! our functional is hybrid 
         &PBE                 ! it has 75% of PBE 
           SCALE_X 0.75
           SCALE_C 1.0
         &END
         &PBE_HOLE_T_C_LR
           SCALE_X 0.25       ! + 25% of truncated PBE0 functional - that includes exact hfx
           CUTOFF_RADIUS 3.5  ! that has interaction truncated at 3.5 A from the atomic core 
         &END
      &END XC_FUNCTIONAL
      &HF
        FRACTION 0.25         ! this is the hfx section. The amount of hfx must be consistent with above
        &SCREENING            ! Screening of the electronic repulsion up to the given threshold. This section is needed
          EPS_SCHWARZ 1.0E-6
          SCREEN_ON_INITIAL_P TRUE  ! having an external wave-function, a preliminary screening
        &END                        ! can be performed to speed up calculations
        &MEMORY
          MAX_MEMORY 800            ! uses some memory to store data and not recompute each step
        &END
        &INTERACTION_POTENTIAL      ! Sets up interaction potential between the two regions
          POTENTIAL_TYPE TRUNCATED  ! the potential is  truncated 
          CUTOFF_RADIUS 3.5         ! at 3.5 A (see above)
          T_C_G_DATA ./t_c_g.dat    ! external file with parameters needed to truncate the potential
        &END
      &END


Thanks!

Lina

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