[CP2K-user] SCF convergence issues: a molecule consisting of eight atoms can not be optimized normally
Dragon Don
shin... at gmail.com
Fri Jun 4 15:49:53 UTC 2021
here is the output
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210604/028e05cd/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Na2S6 (2).inp
Type: chemical/x-gamess-input
Size: 2284068 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210604/028e05cd/attachment.inp>
More information about the CP2K-user
mailing list