Solvation model SCCS convergence issues

Natalie Austin natalie... at
Tue Jul 25 16:28:27 UTC 2017

I have also attached the current output file (au.out). 

I am now getting an error that states: *** WARNING in 
pw/ps_wavelet_methods.F:236 :: Density non-zero on the ***
 *** edges of the unit cell: wrong results in WAVELET solver           ***

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: au.out
Type: application/octet-stream
Size: 201737 bytes
Desc: not available
URL: <>

More information about the CP2K-user mailing list