cube file generation issue

Matt W MattWa... at
Thu Sep 24 08:18:35 UTC 2015


there seems to be no reason why you wouldn't get a spin density file 
produced with your input.

Can you please check with a very small test system (same input just very 
few atoms) in a clean directory that this really is occurring. If it still 
is a problem for you post a full input that we can run directly.



On Thursday, September 24, 2015 at 6:09:15 AM UTC+1, Rizwan Nabi wrote:
> Dear CP2K Users
> I am doing DFT on certain complexes while obtaining output file spin 
> density is not printed. Is there any solution to this?
> Your valuable suggestions are cordially appreciated.
> I have attached my input file.
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