回复: 回复: [CP2K:3706] Re: vdw and scf convergence

shoutian sun sunshou... at yahoo.com.cn
Sat Jan 21 05:21:05 CET 2012


Hi Jun,
Please have a look at this paper (the smooth method part):

J. VandeVondele et al. / Computer Physics Communications 167 (2005) 103–128

Title: QUICKSTEP Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach


Regards,
SUN
CUHK
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20120121/3ece6303/attachment.html>


More information about the CP2K-user mailing list