How to freeze the density in QM/MM calculation ?

[Valérie]

Hello everyone, 

I am looking for a way to do a QM/MM calculation without actually doing any 
SCF steps. I'd like to feed in an healthy looking density for the QM region 
at the beginning and freeze it for the rest of the simulation.
To this end I set up MAX_SCF 0 thinking it would carry on using the restart 
file (see below and full input file attached) but that returns a 
segmentation fault. I looked at various constraints on the density as well 
but didn't find what I was looking for... Does anyone have a better idea?

Many thanks
Valerie
 

&FORCE_EVAL
  METHOD QMMM
  &DFT
    BASIS_SET_FILE_NAME ./GTH_BASIS_SETS
    POTENTIAL_FILE_NAME ./POTENTIAL
    WFN_RESTART_FILE_NAME qmmm_test-RESTART.wfn
    &MGRID
      COMMENSURATE
      CUTOFF 300
    &END MGRID
    &QS
    &END QS
    &SCF
      SCF_GUESS RESTART
      MAX_SCF 0
    &END SCF
    &XC
      &XC_FUNCTIONAL pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150324/b3f65c10/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: NaCl_water_QMMM.inp
Type: chemical/x-gamess-input
Size: 4255 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150324/b3f65c10/attachment.inp>