[CP2K-user] [CP2K:20933] About pdos

Lakshmi Anil lakshmianil967 at gmail.com
Thu Nov 28 23:44:10 UTC 2024


Dear All,
I have been using this software for the past few months. However, I am now 
facing an issue with printing the PDOS. First, I tried it with my system, 
but it did not work. Then, I tried it with a small molecule, and the same 
issue occurred. Could anyone please help me identify if there is anything 
wrong with the input I am providing?  
Also, I am attaching the input file along with this email.
Looking forward for the reply.

Kind Regards,
Lakshmi.

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