[CP2K-user] [CP2K:21640] DD-CAM in CP2k

[Michele Loriso]

Dear CP2k community, 
our team is currently performing geometry optimizations and single points 
on several zinc(II) bulks, and using v. 10.0.
While attempting to run geo_opts and wfn_opts using a DD-CAM functional 
(reported below the input file), we obtained an absurd value for the 
HOMO-LUMO gap (ca. 9 eV) of ZnO.
May I ask you for an advice in assemblying the input file?
Thanks in advance!

&XC
 &XC_FUNCTIONAL
        &HYB_GGA_XC_CAM_PBEH
          SCALE 0.0         
          _OMEGA 0.75          ! Range-separation parameter (in Bohr⁻¹)
          _ALPHA 1.0           ! Short-range HF exchange
          _BETA 0.20           ! Long-range HF exchange
        &END HYB_GGA_XC_CAM_PBEH
 &END XC_FUNCTIONAL
&HF
&SCREENING
EPS_SCHWARZ 1.0E-6
SCREEN_ON_INITIAL_P FALSE
&END SCREENING
&INTERACTION_POTENTIAL
POTENTIAL_TYPE TRUNCATED
CUTOFF_RADIUS 5.5
T_C_G_DATA  /g100_work/IscrC_MHP-DEF/t_c_g.dat
&END INTERACTION_POTENTIAL
&MEMORY
MAX_MEMORY 3600
EPS_STORAGE_SCALING 0.1
&END MEMORY

&END HF
    &END XC

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