[CP2K-user] [CP2K:17467] Issues with ALMO_SCF ANALYSIS print

Ankit Gautam gautamankitkumar at gmail.com
Thu Aug 11 21:43:56 UTC 2022

I'm interested in carrying out EDA with ALMO_SCF. When I ask for output in 
a file, even after successful completion of the calculation no external 
file is present through ALMO_CTA 

Can someone help me extract that information from a calculation? Would 
using a newer CP2K version help me get around this issue?

--CP2K version and input--
Using CP2K 8.2 git:310b7ab
The input file was taken from supplementary information from 
https://pubs.acs.org/doi/10.1021/acs.jctc.8b00957 with no modification. The 
file is named *S-ALMO_CP2K_input.inp*

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