[CP2K-user] [CP2K:14951] Re: SCF not convergent in GEO_OPT

[Jonathan Campeggio]

To be more complete I will post in attachment the convergent SCF input. I 
have commented the MIXING section because I have wrongly thought that it 
would become faster. I am trying with your suggestions, thanks



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210316/543da716/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: single_point.inp
Type: chemical/x-gamess-input
Size: 3518 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210316/543da716/attachment.inp>