[CP2K-user] [CP2K:11959] Print EXTERNAL_POTENTIAL_CUBE file (CP2K 5.1)

[hut... at chem.uzh.ch]

Hi

this keyword is for printing an external potential that has been
defined in the section DFT%EXTERNAL_POTENTIAL (see the manual).
If you don't have such a potential, nothing will be printed.
So, you assumption is wrong.

regards

Juerg Hutter
--------------------------------------------------------------
Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C                FAX   : ++41 44 635 6838
Universität Zürich                   E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
---------------------------------------------------------------

-----cp... at googlegroups.com wrote: -----
To: "cp2k" <cp... at googlegroups.com>
From: "Udit" 
Sent by: cp... at googlegroups.com
Date: 07/10/2019 06:20PM
Subject: [CP2K:11959] Print EXTERNAL_POTENTIAL_CUBE file (CP2K 5.1)

I'm trying to print the EXTERNAL_POTENTIAL_CUBE file but there is no CUBE file being printed. I don't quite know what is going wrong as I don't encounter this problem when running the same script to print other CUBE files such as HARTREE_CUBE or TOT_DENSITY_CUBE. Has anyone encountered this issue?

Additionally, I assume external potential, here, refers to the Coulombic interaction between the nuclei and electrons. Am I correct?  
  -- 
 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 cp... at googlegroups.com.
 To post to this group, send email to cp... at googlegroups.com.
 Visit this group at https://groups.google.com/group/cp2k.
 To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/71242d60-b5ea-446c-845e-b91ddf7f1c0c%40googlegroups.com.
 For more options, visit https://groups.google.com/d/optout.