[CP2K-user] SCCS

[Hanieh Ghodrati]

Dear CP2K Users,

I am trying to use SCCS implicit solvent model for monolayer phosphorene 
but the SCF does not converge. I have already tested sccs model on the 
isolated water molecule and it is done successfully. 

For monolayer phosphorene, I have tried different values of RHO_MAX and 
RHO_MIN but it fails in convergence of scf. 

Here are the values of tested RHOs

RHO_MAX 0.0155        RHO_MIN  0.00010
RHO_MAX 0.0015        RHO_MIN  0.00010
RHO_MAX 0.0200        RHO_MIN  0.00010
RHO_MAX 0.0030        RHO_MIN  0.00030
RHO_MAX 0.0003        RHO_MIN  0.00003

The input and output files of phosphorene (for RHO_MAX 0.0030        
RHO_MIN  0.00030) is attached here and I greatly appreciate your advice. 

Kind regards,
Hanieh

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