cube file generation issue
Matt W
MattWa... at gmail.com
Thu Sep 24 08:18:35 UTC 2015
Hi,
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.
Cheers,
Matt
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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