Hi
yes, it is periodic Gaussians. For details of the calculation
read the publications:
Lippert, G; Hutter, J; Parrinello, M.
MOLECULAR PHYSICS, 92 (3), 477-487 (1997).
A hybrid Gaussian and plane wave density functional scheme.
https://doi.org/10.1080/002689797170220
VandeVondele, J; Krack, M; Mohamed, F; Parrinello, M; Chassaing, T;
Hutter, J. COMPUTER PHYSICS COMMUNICATIONS, 167 (2), 103-128 (2005).
QUICKSTEP: Fast and accurate density functional calculations using a
mixed Gaussian and plane waves approach.
https://doi.org/10.1016/j.cpc.2004.12.014
--------------------------------------------------------------
Juerg Hutter Phone :
++41 44 635 4491
Institut für Chemie C FAX :
++41 44 635 6838
Universität Zürich E-mail:
hut...@chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
---------------------------------------------------------------
-----
cp...@googlegroups.com wrote: -----
To: "cp2k" <
cp...@googlegroups.com>
From: "
fyya...@gmail.com"
Sent by:
cp...@googlegroups.com
Date: 12/04/2020 08:42AM
Subject: [CP2K:14345] how does CP2K construct electron density in real-space FFT mesh point? Is the Gaussian product a periodic Gaussian product?
--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to
cp2k+uns...@googlegroups.com.
To view this discussion on the web visit
https://groups.google.com/d/msgid/cp2k/e023de64-1040-49bd-a228-2aa4cf0732a5n%40googlegroups.com.