Poisson solver for non cubic cells not yet implemented

Megha Anand meghaan... at gmail.com
Fri Oct 14 23:24:03 UTC 2016

Dear All,

I am trying to reproduce the results from this manuscript 

I tried my best to follow the computational methods in this manuscript 
specifying the cell dimensions as 24 × 15 × 15 Å and suggestions by Luca in 
this post:


However, I am getting the error: 

 *** 22:23:55 ERRORL2 in ps_wavelet_types:ps_wavelet_create processor 0  ***
 *** :: err=-300 Poisson solver for non cubic cells not yet implemented  ***

Can someone help me with this error. I do not really know how to decide the 
parameters for the MT poisson solver. Is it because I am using the older 
version of CP2K?? Any insights will be greatly appreciated.

Thank you so much for your time and help in advance!!

Best regards,
Megha Anand
Post-doctoral Associate
Dept. of Chemical Engineering, MIT
Cambridge, MA 02140
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