R_LDOS

[Andres Ortega]

Dear CP2K Users, 

I was wondering if you could help with a doubt. 

I am trying to compute the local PDOS, projected on 3D volume in real 
space. 

initially I used this to print 

 &PRINT

        &PDOS

        COMPONENTS
        &R_LDOS
        LIST 1..184
        ERANGE -0.105 -0.095
        XRANGE 0 31.556
        YRANGE 0 6.654
        ZRANGE 0 17.264
        &END R_LDOS
        &R_LDOS
        LIST 1..184
        ERANGE -0.09 -0.085
        XRANGE 0 31.556
        YRANGE 0 6.654
        ZRANGE 0 17.264
        &END R_LDOS


        FILENAME RDOS
        &END PDOS
  &END PRINT

However i only got a .pdos file with the MO within this range of energies I 
selected. 
I was wondering if instead I can get a .cube file to properly obtain the 
projected on 3D volume
Could you point out my mistake?


thank you for your help 


Best, 

Andres O.
EPFL-Sion   LSMO

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