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