[CP2K-user] CDFT

[Andres Ortega]

Dear CP2K users, 

I have been trying to conduct a CDFT calculation in CP2K 5.1.

I have been trying different configurations and I always get this error 
related to the inverse of the Jacobian. 

Matrix to be inverted of zero size 


I have tried different options and I was wondering if you could give me 
some advice to go through these calculations.


Please find here the input and output  



best, 



Andres Ortega 

EPFL LSMO

 


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