[CP2K-user] Wannier function calculation

SS shya... at gmail.com
Mon Oct 7 10:04:30 UTC 2019

Dear cp2k users

I want to run wannier function calculations of my system  (Metal aqua 
complex) using cp2k. I followed the tutorials given in the cp2k forum 
related to wannier function calculations. When I follow the same procedure 
in my system it's writing cube files. (A large number of cube files as my 
system has near 300 atoms including metal). 

My queries are 
1) How to find out which cube file has the information corresponding to the 
2) How to identify the wannier functions which are associated with the 
metal and to visualize it.

Thank You 
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