[CP2K-user] [CP2K:20480] REFTRAJ EVAL NONE to generate the cube files

[Muhammad Saleh]

Dear All 

I want to evaluate an electrostatic potential along an existing trajectory, 
and in order to save computational time, I'm thinking of using REFTRAJ, but 
only for generating the cube file without computing any other properties 
such as energy, coord, forces, or velocity.  Here is the part of the input 
file 
...
 &GLOBAL
      PRINT_LEVEL LOW
      PROJECT_NAME "REFTRAJ"
      RUN_TYPE MD
 &END GLOBAL
 &MOTION
     &MD
         ENSEMBLE REFTRAJ
     &REFTRAJ
*         EVAL NONE*
         FIRST_SNAPSHOT 1
         LAST_SNAPSHOT 2000
         STRIDE 1
         TRAJ_FILE_NAME 2000_frame.xyz
      &END REFTRAJ
    &END MD
...

and here is the part on generating the cube file 
...
      &PRINT
       &E_DENSITY_CUBE  SILENT
          STRIDE  1
          &EACH
               MD  100
          &END EACH
       &END E_DENSITY_CUBE
       &TOT_DENSITY_CUBE  SILENT
         STRIDE  1
         &EACH
           MD  100
         &END EACH
       &END TOT_DENSITY_CUBE
       &V_HARTREE_CUBE  SILENT
         STRIDE  1
         &EACH
           MD  100
         &END EACH
       &END V_HARTREE_CUBE
     &END PRINT
...

My question is, is it possible to obtain the density cube file using 
REFTRAJ with EVAL NONE?  Thank you very much for the help and have a nice 
day

Best
MuS

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