[CP2K-user] [CP2K:17678] cp2k V_XC_CUBE

oandr...@gmail.com oandresg15 at gmail.com
Wed Sep 14 15:51:22 UTC 2022

Dear Cp2k group, 

I am trying to print both Hartree and xc as cube files. 

I am using 


STRIDE 2 2 2



STRIDE 2 2 2


However, I only get the Hartree. cube file. I removed the V_HARTREE_CUBE 
section and left the V_XC_CUBE but I still get a file as Hartree and not 
the xc cube file.

is this correct? am I misunderstanding something? should I obtain two 
independent cube files for Hartree and xc.?

I was wondering if you could give me advice on this.

I am using cp2k 9.1 in daint, 


Andres Ortega-Guerrero

You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/4323ee22-7159-48ed-a1c8-f8cba2ed5abcn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220914/2e826360/attachment-0001.htm>

More information about the CP2K-user mailing list