[CP2K:4719] dbcsr error when applying periodic efield

David Stelter base... at gmail.com
Fri Oct 25 20:55:51 CEST 2013


Additionally, is there an email that you can provide? If you would like to 
contact me at david.... at rochester.edu I can put you in touch with my 
advisor as well where we can discuss a potential workaround more 
thoroughly. 

Thanks,
David

On Thursday, October 24, 2013 9:13:38 AM UTC-4, Florian Schiffmann wrote:
>
> Hi David,
>
> the error is not due to a dbcsr error. I checked the code and it is a 
> problem in the way ROKS is handled, I might be able to do a work around but 
> I can't guarantee that the result will be meaningful as I am not an expert 
> in the ROKS stuff.
>
> Flo
>
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