[CP2K:6996] Mixing Method Recommendation

Chris Campbell chris... at gmail.com
Tue Sep 15 14:30:58 UTC 2015

Hi S Ling,

Thanks for the explanation that helped.

I have completed my input and was just wondering if I could ask you to have 
a quick glance at it for any last advice? I understand if this is asking 
too much. My only changes to your scf were to increase MAX_SCF as 
convergence did appear to be occurring but taking longer than 20 and I 
lowered the tolerance. 

Kindest Regards,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150915/05614f5e/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: cubtc.inp
Type: chemical/x-gamess-input
Size: 2183 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150915/05614f5e/attachment.inp>

More information about the CP2K-user mailing list