PM6D3H+, PM7, PM7-TS
E R
elra... at gmail.com
Tue Jan 12 21:20:21 UTC 2016
Also worth adding that GAMESS doesn't seem to have linear scaling scf. I
would imagine it would be quite useful to have this combination so that an
accurate low-cost method is implemented in a freely available code.
Any comments from developers?
It would be interesting to compare the resulting combination to:
https://openi.nlm.nih.gov/detailedresult.php?img=3524253_pone.0049849.g009&req=4
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160112/f01febab/attachment.htm>
More information about the CP2K-user
mailing list