DDAPC correction

Xiaoming Wang wxia... at gmail.com
Wed Jan 17 15:52:47 UTC 2018


Hello,

In the DDAPC correction scheme (routine cp_ddapc.F), the E2 and E3 terms in 
the Bloechl's paper (J. Chem. Phys. Vol. 103 pp. 7422-7428.) are 
calculated, how about the E4 term?

Best,
Xiaoming Wang
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180117/f7a7a99c/attachment.htm>


More information about the CP2K-user mailing list