[CP2K-user] #TD_calculation_nwchem

Varesh fsh.k... at gmail.com
Wed Oct 3 08:39:42 CEST 2018


dear all,
I have some problems about the following topic:
*"https://www.cp2k.org/exercises:2015_ethz_mmm:uv"*

1) after run the first part about: "the spectrum using linear response 
TDDFT"
*how could I separated homo & lumo cube files from the total output cube 
("dplot")?*

*2) after run "second part (resonant) input", I have some errors, I 
attached the output ("out")*

I would appreciate if you could help me.
looking forward to receiving your comments

with all the best
Varesh
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